1 | #include <stdio.h> |
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2 | #include <stdlib.h> |
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3 | #include <memory.h> |
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4 | #include <malloc.h> |
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5 | #include <string.h> |
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6 | |
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7 | #include <math.h> |
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8 | |
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9 | #include <arbdb.h> |
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10 | #include <arbdbt.h> |
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11 | |
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12 | #include <aw_root.hxx> |
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13 | #include <aw_device.hxx> |
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14 | #include <aw_window.hxx> |
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15 | #include <aw_preset.hxx> |
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16 | #include <awt.hxx> |
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17 | |
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18 | #include <awt_tree.hxx> |
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19 | #include "dist.hxx" |
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20 | #include <BI_helix.hxx> |
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21 | #include <awt_csp.hxx> |
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22 | #include <CT_ctree.hxx> |
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23 | #include "ph_matr.hxx" |
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24 | #include "ph_protdist.hxx" |
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25 | #include "ph_view_matrix.hxx" |
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26 | |
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27 | #define AWAR_MATRIX_DNA_PREFIX "dist/dna/matrix" |
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28 | PHMATRIX *PHMATRIX::ROOT = 0; |
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29 | PH_dmatrix *ph_dmatrix = 0; |
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30 | AWT_csp *global_csp = 0; |
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31 | AW_CL dist_filter_cl = 0; |
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32 | |
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33 | AP_matrix DI_dna_matrix(AP_MAX); |
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34 | |
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35 | void delete_matrix_cb(AW_root *dummy) |
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36 | { |
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37 | AWUSE(dummy); |
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38 | delete PHMATRIX::ROOT; |
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39 | PHMATRIX::ROOT = 0; |
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40 | if (ph_dmatrix){ |
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41 | ph_dmatrix->resized(); // @@@ OLIVER |
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42 | ph_dmatrix->display(); |
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43 | } |
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44 | } |
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45 | |
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46 | AW_window *create_dna_matrix_window(AW_root *aw_root){ |
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47 | AW_window_simple *aws = 0; |
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48 | aws = new AW_window_simple(); |
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49 | aws->init( aw_root, "SET_DNA_MATRIX","SET MATRIX", 10, 10 ); |
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50 | aws->auto_increment(50,50); |
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51 | aws->button_length(10); |
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52 | aws->callback(AW_POPDOWN); |
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53 | aws->create_button("CLOSE", "CLOSE"); |
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54 | |
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55 | aws->callback(AW_POPUP_HELP,(AW_CL)"user_matrix.hlp"); |
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56 | aws->create_button("HELP", "HELP"); |
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57 | |
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58 | aws->at_newline(); |
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59 | |
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60 | DI_dna_matrix.create_input_fields(aws,AWAR_MATRIX_DNA_PREFIX); |
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61 | aws->window_fit(); |
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62 | return aws; |
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63 | } |
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64 | |
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65 | void create_matrix_variables(AW_root *aw_root, AW_default def) |
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66 | { |
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67 | GB_transaction dummy(gb_main); |
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68 | DI_dna_matrix.set_description("",""); |
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69 | DI_dna_matrix.x_description[AP_A] = strdup("A"); |
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70 | DI_dna_matrix.x_description[AP_C] = strdup("C"); |
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71 | DI_dna_matrix.x_description[AP_G] = strdup("G"); |
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72 | DI_dna_matrix.x_description[AP_T] = strdup("TU"); |
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73 | DI_dna_matrix.x_description[AP_S] = strdup("GAP"); |
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74 | |
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75 | DI_dna_matrix.y_description[AP_A] = strdup("A"); |
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76 | DI_dna_matrix.y_description[AP_C] = strdup("C"); |
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77 | DI_dna_matrix.y_description[AP_G] = strdup("G"); |
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78 | DI_dna_matrix.y_description[AP_T] = strdup("TU"); |
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79 | DI_dna_matrix.y_description[AP_S] = strdup("GAP"); |
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80 | |
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81 | DI_dna_matrix.create_awars(aw_root,AWAR_MATRIX_DNA_PREFIX); |
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82 | |
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83 | aw_root->awar_int("tmp/" AWAR_MATRIX_DNA_PREFIX "/enable", 0) ->add_callback(delete_matrix_cb); // user matrix disabled by default |
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84 | { |
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85 | GBDATA *gbd = GB_search((GBDATA *)aw_root->application_database,AWAR_MATRIX_DNA_PREFIX,GB_FIND); |
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86 | GB_add_callback(gbd,GB_CB_CHANGED,(GB_CB)delete_matrix_cb,0); |
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87 | } |
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88 | |
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89 | aw_root->awar_string( "tmp/dummy_string","0",def); |
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90 | |
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91 | aw_root->awar_string( "dist/which_species","marked",def)->add_callback(delete_matrix_cb); |
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92 | { |
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93 | char *default_ali = GBT_get_default_alignment(gb_main); |
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94 | aw_root->awar_string( "dist/alignment","",def) ->add_callback(delete_matrix_cb)->write_string(default_ali); |
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95 | delete default_ali; |
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96 | } |
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97 | aw_root->awar_string( "dist/filter/alignment","none",def); |
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98 | aw_root->awar_string( "dist/filter/name","none",def); |
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99 | aw_root->awar_string( "dist/filter/filter","",def) ->add_callback(delete_matrix_cb); |
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100 | aw_root->awar_int ( "dist/filter/simplify",0,def) ->add_callback(delete_matrix_cb); |
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101 | |
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102 | aw_root->awar_string( "dist/col_stat/name","none",def); |
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103 | aw_root->awar_string( "dist/col_stat/alignment","none",def); |
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104 | |
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105 | aw_root->awar_string( "dist/cancel/chars",".",def) ->add_callback(delete_matrix_cb); |
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106 | aw_root->awar_int( "dist/correction/trans",0,def) ->add_callback(delete_matrix_cb); |
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107 | |
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108 | aw_root->awar("dist/filter/alignment") ->map("dist/alignment"); |
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109 | aw_root->awar("dist/col_stat/alignment") ->map("dist/alignment"); |
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110 | |
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111 | aw_root->awar_string( "tmp/dist/save_matrix/file_name", "infile", def); |
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112 | aw_root->awar_string( "tmp/dist/save_matrix/directory", ".", def); |
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113 | aw_root->awar_string( "tmp/dist/save_matrix/filter", "", def); |
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114 | aw_root->awar_int( "tmp/dist/save_matrix/type", 0, def); |
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115 | |
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116 | aw_root->awar_string( "dist/tree/tree_name","tree_temp",def); |
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117 | aw_root->awar_string( "dist/tree/list_tree_name","?????",def); |
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118 | aw_root->awar_string( "dist/tree/sort_tree_name","?????",def) ->add_callback(delete_matrix_cb); |
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119 | aw_root->awar_string( "dist/tree/compr_tree_name","?????",def) ->add_callback(delete_matrix_cb); |
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120 | // aw_root->awar_string( "dist/compress/tree_name","tree_main",def); |
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121 | |
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122 | aw_root->awar_float( "dist/alpha",1.0,def); |
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123 | |
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124 | |
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125 | GB_push_transaction(gb_main); |
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126 | |
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127 | GBDATA *gb_species_data = GB_search(gb_main,"species_data",GB_CREATE_CONTAINER); |
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128 | GB_add_callback(gb_species_data,GB_CB_CHANGED,(GB_CB)delete_matrix_cb,0); |
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129 | |
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130 | GB_pop_transaction(gb_main); |
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131 | |
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132 | } |
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133 | |
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134 | PHENTRY::PHENTRY(GBDATA *gbd,class PHMATRIX *phmatri) |
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135 | { |
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136 | memset((char *)this,0,sizeof(PHENTRY)); |
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137 | phmatrix = phmatri; |
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138 | |
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139 | GBDATA *gb_ali = GB_find(gbd,phmatrix->use,0,down_level); |
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140 | if (!gb_ali) return; |
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141 | GBDATA *gb_data = GB_find(gb_ali,"data",0,down_level); |
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142 | if (!gb_data) return; |
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143 | |
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144 | char *seq = GB_read_char_pntr(gb_data); |
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145 | if (phmatrix->is_AA) { |
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146 | sequence = (AP_sequence *)(sequence_protein = new AP_sequence_simple_protein(phmatrix->tree_root)); |
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147 | }else{ |
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148 | sequence = (AP_sequence *)(sequence_parsimony = new AP_sequence_parsimony(phmatrix->tree_root)); |
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149 | } |
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150 | sequence->set(seq); |
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151 | |
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152 | GBDATA *gb_name = GB_find(gbd,"name",0,down_level); |
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153 | name = GB_read_string(gb_name); |
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154 | |
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155 | GBDATA *gb_full_name = GB_find(gbd,"full_name",0,down_level); |
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156 | if (gb_full_name) full_name = GB_read_string(gb_full_name); |
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157 | |
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158 | } |
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159 | |
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160 | PHENTRY::PHENTRY(char *namei,class PHMATRIX *phmatri) |
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161 | { |
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162 | memset((char *)this,0,sizeof(PHENTRY)); |
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163 | phmatrix = phmatri; |
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164 | this->name = strdup(namei); |
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165 | } |
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166 | |
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167 | PHENTRY::~PHENTRY(void) |
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168 | { |
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169 | delete sequence_protein; |
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170 | delete sequence_parsimony; |
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171 | delete name; |
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172 | delete full_name; |
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173 | |
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174 | } |
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175 | |
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176 | PHMATRIX::PHMATRIX(GBDATA *gb_maini,AW_root *awr) |
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177 | { |
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178 | memset((char *)this,0,sizeof(PHMATRIX)); |
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179 | aw_root = awr; |
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180 | gb_main = gb_maini; |
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181 | } |
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182 | |
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183 | char *PHMATRIX::unload(void) |
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184 | { |
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185 | delete use; |
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186 | use = 0; |
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187 | long i; |
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188 | for (i=0;i<nentries;i++){ |
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189 | delete entries[i]; |
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190 | } |
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191 | delete tree_root; |
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192 | delete entries; |
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193 | entries = 0; |
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194 | nentries = 0; |
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195 | return 0; |
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196 | } |
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197 | |
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198 | PHMATRIX::~PHMATRIX(void) |
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199 | { |
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200 | unload(); |
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201 | delete matrix; |
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202 | } |
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203 | |
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204 | extern "C" int qsort_strcmp(const void *str1ptr, const void *str2ptr) { |
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205 | GB_CSTR s1 = *(GB_CSTR*)str1ptr; |
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206 | GB_CSTR s2 = *(GB_CSTR*)str2ptr; |
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207 | |
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208 | return strcmp(s1, s2); |
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209 | } |
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210 | |
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211 | char *PHMATRIX::load(char *usei,AP_filter *filter,AP_weights *weights,AP_smatrix *,int all, GB_CSTR sort_tree_name) |
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212 | { |
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213 | delete tree_root; |
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214 | tree_root = new AP_tree_root(gb_main,0,0); |
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215 | tree_root->filter = filter; |
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216 | tree_root->weights = weights; |
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217 | this->use = strdup(usei); |
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218 | this->gb_main = ::gb_main; |
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219 | GB_push_transaction(gb_main); |
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220 | |
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221 | seq_len = GBT_get_alignment_len(gb_main,use); |
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222 | is_AA = GBT_is_alignment_protein(gb_main,use); |
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223 | gb_species_data = GB_search(gb_main,"species_data",GB_CREATE_CONTAINER); |
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224 | entries_mem_size = 1000; |
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225 | entries = (PHENTRY **)calloc(sizeof(PHENTRY*),(size_t)entries_mem_size); |
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226 | |
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227 | nentries = 0; |
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228 | GBDATA *gb_species; |
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229 | PHENTRY *phentry; |
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230 | |
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231 | int tree_size; |
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232 | GBT_TREE *sort_tree = GBT_read_tree_and_size(gb_main, sort_tree_name, sizeof(GBT_TREE), &tree_size); |
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233 | tree_size++; |
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234 | GB_CSTR *species_in_sort_tree = 0; |
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235 | |
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236 | int no_of_species = all ? GBT_recount_species(gb_main) : GBT_count_marked_species(gb_main); |
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237 | int in_tree_species = 0; |
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238 | int out_tree_species = no_of_species; |
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239 | int unknown_species_in_tree = 0; |
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240 | |
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241 | if (!sort_tree) { |
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242 | aw_message("No valid tree given to sort matrix (using default database order)"); |
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243 | } |
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244 | else { |
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245 | species_in_sort_tree = GBT_get_species_names_of_tree(sort_tree); |
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246 | |
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247 | for (int i=0; i<tree_size; i++) { // read all marked species in tree |
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248 | gb_species = GBT_find_species_rel_species_data(gb_species_data, species_in_sort_tree[i]); |
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249 | if (!gb_species) { |
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250 | aw_message(GB_export_error("Species '%s' found in tree '%s' but NOT in database.", |
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251 | species_in_sort_tree[i], sort_tree_name)); |
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252 | unknown_species_in_tree++; |
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253 | continue; |
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254 | } |
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255 | if (all || GB_read_flag(gb_species)) { |
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256 | in_tree_species++; |
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257 | phentry = new PHENTRY(gb_species,this); |
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258 | if (phentry->sequence) { // a species found |
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259 | entries[nentries++] = phentry; |
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260 | if (nentries == entries_mem_size) { |
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261 | entries_mem_size +=1000; |
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262 | entries = (PHENTRY **)realloc((MALLOC_T)entries,(size_t)(sizeof(PHENTRY*)*entries_mem_size)); |
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263 | } |
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264 | }else{ |
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265 | delete phentry; |
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266 | } |
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267 | } |
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268 | } |
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269 | out_tree_species = no_of_species-in_tree_species; // # of species not loaded yet (because not in tree) |
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270 | gb_assert(out_tree_species>=0); |
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271 | if (out_tree_species) { |
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272 | qsort(species_in_sort_tree, tree_size, sizeof(*species_in_sort_tree), qsort_strcmp); // sort species names |
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273 | #if defined(DEBUG) && 0 |
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274 | printf("Sorted tree:\n"); |
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275 | for (int x=0; x<tree_size; x++) { |
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276 | printf("- %s\n", species_in_sort_tree[x]); |
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277 | } |
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278 | #endif |
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279 | } |
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280 | } |
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281 | |
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282 | if (unknown_species_in_tree) { |
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283 | aw_message(GB_export_error("We found %i species in tree '%s' which are not in database.\n" |
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284 | "This does not aafect the current calculation, but you should think about it.", |
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285 | unknown_species_in_tree, sort_tree_name)); |
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286 | } |
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287 | |
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288 | gb_assert(out_tree_species>=0); |
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289 | if (out_tree_species) { // there are species outside the tree (or no valid sort tree selected) => load all marked species not loaded yet |
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290 | int count = 0; |
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291 | |
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292 | if (all) gb_species = GBT_first_species_rel_species_data(gb_species_data); |
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293 | else gb_species = GBT_first_marked_species_rel_species_data(gb_species_data); |
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294 | |
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295 | while (gb_species) { |
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296 | int load_species = 0; |
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297 | |
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298 | if (in_tree_species) { // test if species already loaded |
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299 | char *species_name = 0; |
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300 | GBDATA *gb_name = GB_find(gb_species, "name", 0, down_level); |
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301 | if (gb_name) { |
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302 | species_name = GB_read_string(gb_name); |
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303 | if (bsearch(&species_name, species_in_sort_tree, tree_size, sizeof(*species_in_sort_tree), qsort_strcmp)==0) { |
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304 | load_species = 1; |
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305 | #if defined(DEBUG) && 0 |
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306 | printf("Not in tree: %s\n", species_name); |
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307 | #endif |
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308 | } |
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309 | free(species_name); |
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310 | } |
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311 | } |
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312 | else { |
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313 | load_species = 1; |
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314 | } |
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315 | |
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316 | if (load_species) { |
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317 | count++; |
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318 | phentry = new PHENTRY(gb_species,this); |
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319 | if (phentry->sequence) { // a species found |
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320 | entries[nentries++] = phentry; |
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321 | if (nentries == entries_mem_size) { |
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322 | entries_mem_size +=1000; |
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323 | entries = (PHENTRY **)realloc((MALLOC_T)entries,(size_t)(sizeof(PHENTRY*)*entries_mem_size)); |
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324 | } |
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325 | }else{ |
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326 | delete phentry; |
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327 | } |
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328 | } |
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329 | |
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330 | if (all) gb_species = GBT_next_species(gb_species); |
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331 | else gb_species = GBT_next_marked_species(gb_species); |
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332 | } |
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333 | } |
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334 | |
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335 | delete [] species_in_sort_tree; |
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336 | if (sort_tree) GBT_delete_tree(sort_tree); |
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337 | |
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338 | GB_pop_transaction(gb_main); |
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339 | |
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340 | return 0; |
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341 | } |
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342 | |
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343 | |
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344 | /****************************************************************************************** |
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345 | Calculate the global rate_matrix |
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346 | ******************************************************************************************/ |
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347 | void PHMATRIX::clear(PH_MUT_MATR &hits) |
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348 | { |
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349 | int i,j; |
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350 | for (i=0;i<AP_MAX;i++){ |
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351 | for (j=0;j<AP_MAX;j++){ |
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352 | hits[i][j] = 0; |
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353 | } |
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354 | } |
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355 | } |
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356 | |
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357 | void PHMATRIX::make_sym(PH_MUT_MATR &hits) |
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358 | { |
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359 | int i,j; |
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360 | for (i=AP_A;i<AP_MAX;i*=2){ |
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361 | for (j=AP_A;j<=i;j*=2){ |
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362 | hits[i][j] = hits[j][i] = hits[i][j] + hits[j][i]; |
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363 | } |
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364 | } |
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365 | } |
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366 | |
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367 | void PHMATRIX::rate_write(PH_MUT_MATR &hits,FILE *out){ |
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368 | int i,j; |
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369 | for (i=AP_A;i<AP_MAX;i*=2){ |
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370 | for (j=AP_A;j<AP_MAX;j*=2){ |
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371 | fprintf(out,"%5li ",hits[i][j]); |
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372 | } |
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373 | fprintf(out,"\n"); |
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374 | } |
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375 | } |
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376 | |
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377 | long *PHMATRIX::create_helix_filter(BI_helix *helix,AP_filter *filter){ |
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378 | long *result = (long *)calloc(sizeof(long),(size_t)filter->real_len); |
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379 | long *temp = (long *)calloc(sizeof(long),(size_t)filter->real_len); |
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380 | int i,count; |
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381 | count = 0; |
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382 | for (i=0;i<filter->filter_len;i++) { |
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383 | if (filter->filter_mask[i]) { |
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384 | temp[i] = count; |
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385 | if (helix->entries[i].pair_type== HELIX_PAIR) { |
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386 | result[count] = helix->entries[i].pair_pos; |
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387 | }else{ |
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388 | result[count] = -1; |
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389 | } |
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390 | count++; |
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391 | } |
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392 | } |
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393 | while (--count >=0){ |
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394 | if (result[count] >= 0) { |
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395 | result[count] = temp[result[count]]; |
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396 | } |
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397 | } |
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398 | free((char *)temp); |
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399 | return result; |
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400 | } |
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401 | |
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402 | GB_ERROR PHMATRIX::calculate_rates(PH_MUT_MATR &hrates,PH_MUT_MATR &nrates,PH_MUT_MATR &pairs,long *filter){ |
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403 | |
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404 | if (nentries<=1) { |
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405 | return "There are no species selected"; |
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406 | } |
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407 | register long row,col,pos,s_len; |
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408 | register char *seq1,*seq2; |
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409 | s_len = tree_root->filter->real_len; |
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410 | this->clear(hrates); |
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411 | this->clear(nrates); |
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412 | this->clear(pairs); |
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413 | for (row = 0; row<nentries;row++){ |
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414 | double gauge = (double)row/(double)nentries; |
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415 | if (aw_status(gauge*gauge)) return "Aborted"; |
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416 | for (col=0; col<row; col++) { |
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417 | seq1 = entries[row]->sequence_parsimony->sequence; |
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418 | seq2= entries[col]->sequence_parsimony->sequence; |
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419 | for (pos = 0; pos < s_len; pos++){ |
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420 | if(filter[pos]>=0) { |
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421 | hrates[*seq1][*seq2]++; |
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422 | }else{ |
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423 | nrates[*seq1][*seq2]++; |
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424 | } |
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425 | seq1++; seq2++; |
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426 | } |
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427 | } |
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428 | } |
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429 | for (row = 0; row<nentries;row++){ |
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430 | seq1 = entries[row]->sequence_parsimony->sequence; |
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431 | for (pos = 0; pos < s_len; pos++){ |
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432 | if(filter[pos]>=0) { |
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433 | pairs[seq1[pos]][seq1[filter[pos]]]++; |
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434 | } |
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435 | } |
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436 | } |
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437 | return 0; |
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438 | } |
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439 | |
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440 | /****************************************************************************************** |
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441 | Some test functions to check correlated base correction |
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442 | ******************************************************************************************/ |
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443 | |
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444 | |
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445 | GB_ERROR PHMATRIX::haeschoe(const char *path) |
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446 | { |
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447 | PH_MUT_MATR temp,temp2,pairs; |
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448 | static BI_helix *helix = 0; |
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449 | if (!helix) helix = new BI_helix(); |
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450 | const char *error = helix->init(gb_main); |
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451 | if (error) return error; |
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452 | |
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453 | FILE *out = fopen(path,"w"); |
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454 | if (!out) return "Cannot open file"; |
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455 | |
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456 | aw_openstatus("Calculating Distanz Matrix"); |
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457 | aw_status("Calculating global rate matrix"); |
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458 | |
---|
459 | fprintf(out,"Pairs in helical regions:\n"); |
---|
460 | long *filter = create_helix_filter(helix,tree_root->filter); |
---|
461 | error = calculate_rates(temp,temp2,pairs,filter); |
---|
462 | if (error){ |
---|
463 | aw_closestatus(); |
---|
464 | fclose(out); |
---|
465 | return error; |
---|
466 | } |
---|
467 | rate_write(pairs,out); |
---|
468 | make_sym(temp);make_sym(temp2); |
---|
469 | fprintf(out,"\nRatematrix helical parts:\n"); |
---|
470 | rate_write(temp,out); |
---|
471 | fprintf(out,"\nRatematrix non helical parts:\n"); |
---|
472 | rate_write(temp2,out); |
---|
473 | |
---|
474 | register long row,col,pos,s_len; |
---|
475 | register char *seq1,*seq2; |
---|
476 | s_len = tree_root->filter->real_len; |
---|
477 | fprintf(out,"\nDistanzmatrix (Helixdist Helixlen Nonhelixdist Nonhelixlen):"); |
---|
478 | fprintf(out,"\n%li",nentries); |
---|
479 | const int MAXDISTDEBUG = 1000; |
---|
480 | double distdebug[MAXDISTDEBUG]; |
---|
481 | for (pos = 0;pos<MAXDISTDEBUG;pos++) distdebug[pos] = 0.0; |
---|
482 | for (row = 0; row<nentries;row++){ |
---|
483 | if ( nentries > 100 || (row&0xf == 0)){ |
---|
484 | double gauge = (double)row/(double)nentries; |
---|
485 | if (aw_status(gauge*gauge)) { |
---|
486 | aw_closestatus(); |
---|
487 | return "Aborted"; |
---|
488 | } |
---|
489 | } |
---|
490 | fprintf (out,"\n%s ",entries[row]->name); |
---|
491 | |
---|
492 | for (col=0; col<row; col++) { |
---|
493 | seq1 = entries[row]->sequence_parsimony->sequence; |
---|
494 | seq2= entries[col]->sequence_parsimony->sequence; |
---|
495 | this->clear(temp); |
---|
496 | this->clear(temp2); |
---|
497 | for (pos = 0; pos < s_len; pos++){ |
---|
498 | if(filter[pos]>=0) { |
---|
499 | temp[*seq1][*seq2]++; |
---|
500 | }else{ |
---|
501 | temp2[*seq1][*seq2]++; |
---|
502 | } |
---|
503 | seq1++; seq2++; |
---|
504 | } |
---|
505 | long hdist= 0, hall2 = 0; |
---|
506 | int i,j; |
---|
507 | for (i=AP_A;i<AP_MAX;i*=2){ |
---|
508 | for (j=AP_A;j<AP_MAX;j*=2){ |
---|
509 | hall2 += temp[i][j]; |
---|
510 | if (i!=j) hdist += temp[i][j]; |
---|
511 | } |
---|
512 | } |
---|
513 | |
---|
514 | long dist= 0, all = 0; |
---|
515 | for (i=AP_A;i<=AP_T;i*=2){ |
---|
516 | for (j=AP_A;j<=AP_T;j*=2){ |
---|
517 | all += temp2[i][j]; |
---|
518 | if (i!=j) dist += temp2[i][j]; |
---|
519 | } |
---|
520 | } |
---|
521 | fprintf(out,"(%4li:%4li %4li:%4li) ",hdist,hall2, dist,all); |
---|
522 | if (all>100){ |
---|
523 | distdebug[dist*MAXDISTDEBUG/all] = (double)hdist/(double)hall2; |
---|
524 | } |
---|
525 | } |
---|
526 | } |
---|
527 | |
---|
528 | fprintf (out,"\n"); |
---|
529 | fprintf (out,"\nhdist/dist:\n"); |
---|
530 | |
---|
531 | for (pos = 1;pos<MAXDISTDEBUG;pos++) { |
---|
532 | if (distdebug[pos]) { |
---|
533 | fprintf(out,"%4f %5f\n",(double)pos/(double)MAXDISTDEBUG,distdebug[pos]/(double)pos*(double)MAXDISTDEBUG); |
---|
534 | } |
---|
535 | } |
---|
536 | aw_closestatus(); |
---|
537 | fclose(out); |
---|
538 | |
---|
539 | return 0; |
---|
540 | } |
---|
541 | |
---|
542 | char *PHMATRIX::calculate_overall_freqs(double rel_frequencies[AP_MAX], char *cancel) |
---|
543 | { |
---|
544 | long hits2[AP_MAX]; |
---|
545 | long sum = 0; |
---|
546 | int i,row; |
---|
547 | register char *seq1; |
---|
548 | register int pos; |
---|
549 | register int b; |
---|
550 | register long s_len = tree_root->filter->real_len; |
---|
551 | |
---|
552 | memset((char *) &hits2[0], 0, sizeof(hits2)); |
---|
553 | for (row = 0; row < nentries; row++) { |
---|
554 | seq1 = entries[row]->sequence_parsimony->sequence; |
---|
555 | for (pos = 0; pos < s_len; pos++) { |
---|
556 | b = *(seq1++); |
---|
557 | if (cancel[b]) continue; |
---|
558 | hits2[b]++; |
---|
559 | } |
---|
560 | } |
---|
561 | for (i = 0; i < AP_MAX; i++) sum += hits2[i]; |
---|
562 | for (i = 0; i < AP_MAX; i++) rel_frequencies[i] = hits2[i] / (double) sum; |
---|
563 | return 0; |
---|
564 | } |
---|
565 | |
---|
566 | double PHMATRIX::corr(double dist, double b, double & sigma){ |
---|
567 | const double eps = 0.01; |
---|
568 | double ar = 1.0 - dist/b; |
---|
569 | sigma = 1000.0; |
---|
570 | if (ar< eps) return 3.0; |
---|
571 | sigma = b/ar; |
---|
572 | return - b * log(1-dist/b); |
---|
573 | } |
---|
574 | |
---|
575 | GB_ERROR PHMATRIX::calculate(AW_root *awr, char *cancel, double /*alpha*/, PH_TRANSFORMATION transformation) |
---|
576 | { |
---|
577 | |
---|
578 | if (transformation == PH_TRANSFORMATION_HAESCH) { |
---|
579 | GB_ERROR error = haeschoe("outfile"); |
---|
580 | if (error) return error; |
---|
581 | return "Your matrizes have been written to 'outfile'\nSorry I can not make a tree"; |
---|
582 | } |
---|
583 | int user_matrix_enabled = awr->awar("tmp/" AWAR_MATRIX_DNA_PREFIX "/enable")->read_int(); |
---|
584 | if (user_matrix_enabled){ // set transformation Matrix |
---|
585 | switch (transformation){ |
---|
586 | case PH_TRANSFORMATION_NONE: |
---|
587 | case PH_TRANSFORMATION_SIMILARITY: |
---|
588 | case PH_TRANSFORMATION_JUKES_CANTOR: |
---|
589 | break; |
---|
590 | default: |
---|
591 | return GB_export_error("Sorry not implemented:\n" |
---|
592 | " This kind of distance correction does not support\n" |
---|
593 | " a user defined matrix"); |
---|
594 | } |
---|
595 | DI_dna_matrix.read_awars(awr,AWAR_MATRIX_DNA_PREFIX); |
---|
596 | DI_dna_matrix.normize(); |
---|
597 | } |
---|
598 | |
---|
599 | |
---|
600 | |
---|
601 | matrix = new AP_smatrix(nentries); |
---|
602 | |
---|
603 | register long s_len = tree_root->filter->real_len; |
---|
604 | long hits[AP_MAX][AP_MAX]; |
---|
605 | int row; |
---|
606 | int col; |
---|
607 | size_t i; |
---|
608 | |
---|
609 | if (nentries<=1) { |
---|
610 | return "There are no species selected"; |
---|
611 | } |
---|
612 | memset(&cancel_columns[0],0,256); |
---|
613 | |
---|
614 | for (i=0;i<strlen(cancel);i++){ |
---|
615 | int j = cancel[i]; |
---|
616 | j = AP_sequence_parsimony::table[j]; |
---|
617 | cancel_columns[j] = 1; |
---|
618 | } |
---|
619 | long columns; |
---|
620 | double b; |
---|
621 | long frequencies[AP_MAX]; |
---|
622 | double rel_frequencies[AP_MAX]; |
---|
623 | double S_square=0; |
---|
624 | |
---|
625 | switch(transformation){ |
---|
626 | case PH_TRANSFORMATION_FELSENSTEIN: |
---|
627 | this->calculate_overall_freqs(rel_frequencies,cancel_columns); |
---|
628 | S_square = 0.0; |
---|
629 | for (i=0;i<AP_MAX; i++) S_square+= rel_frequencies[i]*rel_frequencies[i]; |
---|
630 | break; |
---|
631 | default: break; |
---|
632 | }; |
---|
633 | |
---|
634 | for (row = 0; row<nentries;row++){ |
---|
635 | if ( nentries > 100 || (row&0xf == 0)){ |
---|
636 | double gauge = (double)row/(double)nentries; |
---|
637 | if (aw_status(gauge*gauge)) { |
---|
638 | aw_closestatus(); |
---|
639 | return "Aborted"; |
---|
640 | } |
---|
641 | } |
---|
642 | for (col=0; col<=row; col++) { |
---|
643 | columns = 0; |
---|
644 | register char *seq1 = entries[row]->sequence_parsimony->sequence; |
---|
645 | register char *seq2= entries[col]->sequence_parsimony->sequence; |
---|
646 | b = 0.0; |
---|
647 | switch(transformation){ |
---|
648 | case PH_TRANSFORMATION_JUKES_CANTOR: |
---|
649 | b = 0.75; |
---|
650 | case PH_TRANSFORMATION_NONE: |
---|
651 | case PH_TRANSFORMATION_SIMILARITY:{ |
---|
652 | double dist = 0.0; |
---|
653 | if (user_matrix_enabled){ |
---|
654 | memset((char *)hits,0,sizeof(long) * AP_MAX * AP_MAX); |
---|
655 | int pos; |
---|
656 | for (pos = s_len; pos >=0; pos--){ |
---|
657 | hits[*(seq1++)][*(seq2++)]++; |
---|
658 | } |
---|
659 | int x,y; |
---|
660 | double diffsum = 0.0; |
---|
661 | double all_sum = 0.001; |
---|
662 | for (x = AP_A; x < AP_MAX; x*=2){ |
---|
663 | for (y = AP_A; y < AP_MAX; y*=2){ |
---|
664 | if (x==y){ |
---|
665 | all_sum += hits[x][y]; |
---|
666 | }else{ |
---|
667 | diffsum += hits[x][y] * DI_dna_matrix.get(x,y); |
---|
668 | all_sum += hits[x][y] * DI_dna_matrix.get(x,y); |
---|
669 | } |
---|
670 | } |
---|
671 | } |
---|
672 | dist = diffsum / all_sum; |
---|
673 | }else{ |
---|
674 | register int pos; |
---|
675 | register int b1,b2; |
---|
676 | for (pos = s_len; pos >=0; pos--){ |
---|
677 | b1 =*(seq1++); |
---|
678 | b2 =*(seq2++); |
---|
679 | if (cancel_columns[b1]) continue; |
---|
680 | if (cancel_columns[b2]) continue; |
---|
681 | columns++; |
---|
682 | if (b1&b2) continue; |
---|
683 | dist+=1.0; |
---|
684 | } |
---|
685 | if (columns== 0) columns = 1; |
---|
686 | dist /= columns; |
---|
687 | } |
---|
688 | if (transformation==PH_TRANSFORMATION_SIMILARITY){ |
---|
689 | dist = (1.0-dist); |
---|
690 | }else if (b){ |
---|
691 | double sigma; |
---|
692 | dist = this->corr(dist,b,sigma); |
---|
693 | } |
---|
694 | matrix->set(row,col,dist); |
---|
695 | break; |
---|
696 | } |
---|
697 | case PH_TRANSFORMATION_KIMURA: |
---|
698 | case PH_TRANSFORMATION_OLSEN: |
---|
699 | case PH_TRANSFORMATION_FELSENSTEIN:{ |
---|
700 | register int pos; |
---|
701 | double dist = 0.0; |
---|
702 | long N,P,Q,M; |
---|
703 | double p,q; |
---|
704 | memset((char *)hits,0,sizeof(long) * AP_MAX * AP_MAX); |
---|
705 | for (pos = s_len; pos >=0; pos--){ |
---|
706 | hits[*(seq1++)][*(seq2++)]++; |
---|
707 | } |
---|
708 | switch(transformation){ |
---|
709 | case PH_TRANSFORMATION_KIMURA: |
---|
710 | P = hits[AP_A][AP_G] + |
---|
711 | hits[AP_G][AP_A] + |
---|
712 | hits[AP_C][AP_T] + |
---|
713 | hits[AP_T][AP_C]; |
---|
714 | Q = hits[AP_A][AP_C] + |
---|
715 | hits[AP_A][AP_T] + |
---|
716 | hits[AP_C][AP_A] + |
---|
717 | hits[AP_T][AP_A] + |
---|
718 | hits[AP_G][AP_C] + |
---|
719 | hits[AP_G][AP_T] + |
---|
720 | hits[AP_C][AP_G] + |
---|
721 | hits[AP_T][AP_G]; |
---|
722 | M = hits[AP_A][AP_A] + |
---|
723 | hits[AP_C][AP_C] + |
---|
724 | hits[AP_G][AP_G] + |
---|
725 | hits[AP_T][AP_T]; |
---|
726 | N = P+Q+M; |
---|
727 | if (N==0) N=1; |
---|
728 | p = (double)P/(double)N; |
---|
729 | q = (double)Q/(double)N; |
---|
730 | dist = - .5 * log( |
---|
731 | (1.0-2.0*p-q)*sqrt(1.0-2.0*q) |
---|
732 | ); |
---|
733 | break; |
---|
734 | |
---|
735 | case PH_TRANSFORMATION_OLSEN: |
---|
736 | case PH_TRANSFORMATION_FELSENSTEIN: |
---|
737 | |
---|
738 | memset((char *)frequencies,0, |
---|
739 | sizeof(long) * AP_MAX); |
---|
740 | |
---|
741 | N = 0; |
---|
742 | M = 0; |
---|
743 | |
---|
744 | for (i=0;i<AP_MAX;i++) { |
---|
745 | if (cancel_columns[i]) continue; |
---|
746 | unsigned int j; |
---|
747 | for (j=0;j<i;j++) { |
---|
748 | if (cancel_columns[j]) continue; |
---|
749 | frequencies[i] += |
---|
750 | hits[i][j]+ |
---|
751 | hits[j][i]; |
---|
752 | } |
---|
753 | frequencies[i] += hits[i][i]; |
---|
754 | N += frequencies[i]; |
---|
755 | M += hits[i][i];; |
---|
756 | } |
---|
757 | if (N==0) N=1; |
---|
758 | if (transformation == PH_TRANSFORMATION_OLSEN){ // Calc sum square freq inividually for each line |
---|
759 | S_square = 0.0; |
---|
760 | for (i=0;i<AP_MAX; i++) S_square+= frequencies[i]*frequencies[i]; |
---|
761 | b = 1.0 - S_square/((double)N*(double)N); |
---|
762 | }else{ |
---|
763 | b = 1.0 - S_square; |
---|
764 | } |
---|
765 | |
---|
766 | dist = ((double)(N-M)) / (double) N; |
---|
767 | double sigma; |
---|
768 | dist = this->corr(dist,b,sigma); |
---|
769 | break; |
---|
770 | |
---|
771 | default: return "Sorry: Transformation not implemented"; |
---|
772 | } |
---|
773 | matrix->set(row,col,dist); |
---|
774 | break; |
---|
775 | } |
---|
776 | default:; |
---|
777 | } /* switch */ |
---|
778 | } |
---|
779 | } |
---|
780 | return 0; |
---|
781 | } |
---|
782 | |
---|
783 | GB_ERROR PHMATRIX::calculate_pro(PH_TRANSFORMATION transformation){ |
---|
784 | ph_cattype whichcat; |
---|
785 | ph_codetype whichcode = universal; |
---|
786 | |
---|
787 | switch (transformation){ |
---|
788 | case PH_TRANSFORMATION_NONE: |
---|
789 | whichcat = none; |
---|
790 | break; |
---|
791 | case PH_TRANSFORMATION_SIMILARITY: |
---|
792 | whichcat = similarity; |
---|
793 | break; |
---|
794 | case PH_TRANSFORMATION_KIMURA: |
---|
795 | whichcat = kimura; |
---|
796 | break; |
---|
797 | case PH_TRANSFORMATION_PAM: |
---|
798 | whichcat = pam; |
---|
799 | break; |
---|
800 | case PH_TRANSFORMATION_CATEGORIES_HALL: |
---|
801 | whichcat = hall; |
---|
802 | break; |
---|
803 | case PH_TRANSFORMATION_CATEGORIES_BARKER: |
---|
804 | whichcat = george; |
---|
805 | break; |
---|
806 | case PH_TRANSFORMATION_CATEGORIES_CHEMICAL: |
---|
807 | whichcat = chemical; |
---|
808 | break; |
---|
809 | default: |
---|
810 | return "This correction is not available for protein data"; |
---|
811 | } |
---|
812 | matrix = new AP_smatrix(nentries); |
---|
813 | |
---|
814 | ph_protdist prodist(whichcode, whichcat, nentries,entries, tree_root->filter->real_len,matrix); |
---|
815 | return prodist.makedists(); |
---|
816 | } |
---|
817 | |
---|
818 | |
---|
819 | GB_ERROR ph_calculate_matrix_cb(AW_window *aww, AW_CL bootstrap_flag) // returns "Aborted" if stopped by user |
---|
820 | { |
---|
821 | GB_push_transaction(gb_main); |
---|
822 | if (PHMATRIX::ROOT){ |
---|
823 | GB_pop_transaction(gb_main); |
---|
824 | return 0; |
---|
825 | } |
---|
826 | AW_root *aw_root = aww->get_root(); |
---|
827 | char *use = aw_root->awar("dist/alignment")->read_string(); |
---|
828 | long ali_len = GBT_get_alignment_len(gb_main,use); |
---|
829 | if (ali_len<=0) { |
---|
830 | GB_pop_transaction(gb_main); |
---|
831 | delete use; |
---|
832 | aw_message("Please select a valid alignment"); |
---|
833 | return "Error"; |
---|
834 | } |
---|
835 | if (!bootstrap_flag){ |
---|
836 | aw_openstatus("Calculating Matrix"); |
---|
837 | aw_status("Read the database"); |
---|
838 | } |
---|
839 | |
---|
840 | PHMATRIX *phm = new PHMATRIX(gb_main,aw_root); |
---|
841 | phm->matrix_type = PH_MATRIX_FULL; |
---|
842 | char *cancel = aw_root->awar("dist/cancel/chars")->read_string(); |
---|
843 | |
---|
844 | AP_filter *ap_filter = awt_get_filter(aw_root,dist_filter_cl); |
---|
845 | if (bootstrap_flag){ |
---|
846 | ap_filter->enable_bootstrap(0); |
---|
847 | } |
---|
848 | |
---|
849 | AP_weights *ap_weights = new AP_weights; |
---|
850 | ap_weights->init(ap_filter); |
---|
851 | |
---|
852 | AP_smatrix *ap_ratematrix = 0; |
---|
853 | |
---|
854 | char *load_what = aw_root->awar("dist/which_species")->read_string(); |
---|
855 | char *sort_tree_name = aw_root->awar("dist/tree/sort_tree_name")->read_string(); |
---|
856 | int all_flag = 0; |
---|
857 | if (!strcmp(load_what,"all")) all_flag = 1; |
---|
858 | phm->load(use,ap_filter,ap_weights,ap_ratematrix,all_flag, sort_tree_name); |
---|
859 | free(sort_tree_name); |
---|
860 | GB_pop_transaction(gb_main); |
---|
861 | if (aw_status()) { |
---|
862 | phm->unload(); |
---|
863 | return "Aborted"; |
---|
864 | } |
---|
865 | |
---|
866 | PH_TRANSFORMATION trans; |
---|
867 | trans = (PH_TRANSFORMATION)aw_root->awar("dist/correction/trans")->read_int(); |
---|
868 | |
---|
869 | GB_ERROR error; |
---|
870 | if (phm->is_AA){ |
---|
871 | error = phm->calculate_pro(trans); |
---|
872 | }else{ |
---|
873 | error = phm->calculate(aw_root,cancel,0.0,trans); |
---|
874 | } |
---|
875 | if (!bootstrap_flag){ |
---|
876 | aw_closestatus(); |
---|
877 | } |
---|
878 | delete phm->ROOT; |
---|
879 | if (error && strcmp(error,"Aborted")){ |
---|
880 | aw_message(error); |
---|
881 | delete phm; |
---|
882 | phm->ROOT = 0; |
---|
883 | }else{ |
---|
884 | phm->ROOT = phm; |
---|
885 | |
---|
886 | } |
---|
887 | delete load_what; |
---|
888 | |
---|
889 | delete cancel; |
---|
890 | delete ap_filter; |
---|
891 | delete ap_weights; |
---|
892 | delete ap_ratematrix; |
---|
893 | |
---|
894 | delete use; |
---|
895 | return error; |
---|
896 | } |
---|
897 | |
---|
898 | |
---|
899 | void ph_view_matrix_cb(AW_window *aww){ |
---|
900 | GB_ERROR error = ph_calculate_matrix_cb(aww,0); |
---|
901 | if (error) return; |
---|
902 | |
---|
903 | static AW_window *viewer = 0; |
---|
904 | if (!ph_dmatrix){ |
---|
905 | ph_dmatrix = new PH_dmatrix(); |
---|
906 | } |
---|
907 | |
---|
908 | if (!viewer) viewer = PH_create_view_matrix_window(aww->get_root(), ph_dmatrix); |
---|
909 | |
---|
910 | ph_dmatrix->init(); |
---|
911 | ph_dmatrix->display(); |
---|
912 | viewer->show(); |
---|
913 | } |
---|
914 | |
---|
915 | void ph_save_matrix_cb(AW_window *aww) |
---|
916 | { // save the matrix |
---|
917 | GB_ERROR error = ph_calculate_matrix_cb(aww,0); |
---|
918 | if (error) return; |
---|
919 | char *filename = aww->get_root()->awar("tmp/dist/save_matrix/file_name")->read_string(); |
---|
920 | enum PH_SAVE_TYPE type = (enum PH_SAVE_TYPE)aww->get_root()->awar("tmp/dist/save_matrix/type")->read_int(); |
---|
921 | PHMATRIX::ROOT->save(filename,type); |
---|
922 | delete filename; |
---|
923 | if (error) aw_message(error); |
---|
924 | else aww->get_root()->awar("tmp/dist/save_matrix/directory")->touch(); |
---|
925 | aww->hide(); |
---|
926 | } |
---|
927 | |
---|
928 | AW_window *create_save_matrix_window(AW_root *aw_root, char *base_name) |
---|
929 | { |
---|
930 | static AW_window_simple *aws = 0; |
---|
931 | if (aws) return aws; |
---|
932 | aws = new AW_window_simple; |
---|
933 | aws->init( aw_root, "SAVE_MATRIX", "Save Matrix", 10, 10 ); |
---|
934 | aws->load_xfig("sel_box.fig"); |
---|
935 | |
---|
936 | aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); |
---|
937 | aws->create_button("CLOSE", "CANCEL","C"); |
---|
938 | |
---|
939 | |
---|
940 | aws->at("help");aws->callback(AW_POPUP_HELP,(AW_CL)"save_matrix.hlp"); |
---|
941 | aws->create_button("HELP", "HELP","H"); |
---|
942 | |
---|
943 | aws->at("user"); |
---|
944 | aws->create_option_menu("tmp/dist/save_matrix/type"); |
---|
945 | aws->insert_default_option("Phylip Format (Lower Triangular Matrix)","P",PH_SAVE_PHYLIP_COMP); |
---|
946 | aws->insert_option("Readable (using NDS)","R",PH_SAVE_READABLE); |
---|
947 | aws->update_option_menu(); |
---|
948 | |
---|
949 | awt_create_selection_box((AW_window *)aws,base_name); |
---|
950 | |
---|
951 | aws->at("save2");aws->callback(ph_save_matrix_cb); |
---|
952 | aws->create_button("SAVE", "SAVE","S"); |
---|
953 | |
---|
954 | aws->callback( (AW_CB0)AW_POPDOWN); |
---|
955 | aws->at("cancel2"); |
---|
956 | aws->create_button("CLOSE", "CANCEL","C"); |
---|
957 | |
---|
958 | return aws; |
---|
959 | } |
---|
960 | |
---|
961 | AW_window *awt_create_select_cancel_window(AW_root *aw_root) |
---|
962 | { |
---|
963 | AW_window_simple *aws = new AW_window_simple; |
---|
964 | aws->init( aw_root, "SELECT_CHARS_TO_CANCEL_COLOUM", "CANCEL SELECT", 10, 10 ); |
---|
965 | aws->load_xfig("ph_cancel.fig"); |
---|
966 | |
---|
967 | aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); |
---|
968 | aws->create_button("CLOSE", "CLOSE","C"); |
---|
969 | |
---|
970 | aws->at("cancel"); |
---|
971 | aws->create_input_field("dist/cancel/chars",12); |
---|
972 | |
---|
973 | return (AW_window *)aws; |
---|
974 | } |
---|
975 | |
---|
976 | const char *enum_trans_to_string[] = { |
---|
977 | "none", |
---|
978 | "similarity", |
---|
979 | "jukes_cantor", |
---|
980 | "felsenstein", |
---|
981 | |
---|
982 | "pam", |
---|
983 | "hall", |
---|
984 | "barker", |
---|
985 | "chemical", |
---|
986 | |
---|
987 | "haesch", |
---|
988 | "kimura", |
---|
989 | "olsen", |
---|
990 | "felsenstein voigt", |
---|
991 | "olsen voigt", |
---|
992 | "max ml" |
---|
993 | }; |
---|
994 | |
---|
995 | void ph_calculate_tree_cb(AW_window *aww,AW_CL bootstrap_flag) |
---|
996 | { |
---|
997 | AW_root *aw_root = aww->get_root(); |
---|
998 | GB_ERROR error = 0; |
---|
999 | GBT_TREE *tree = 0; |
---|
1000 | char **all_names = 0; |
---|
1001 | int loop_count = 0; |
---|
1002 | PHMATRIX *matr; |
---|
1003 | |
---|
1004 | if (bootstrap_flag){ |
---|
1005 | switch (aw_message("Are You ABSOLUTELY sure that You have READ\n" |
---|
1006 | "the bootstrap help","Yes,Show Help,Cancel")){ |
---|
1007 | case 1: |
---|
1008 | AW_POPUP_HELP(aww,(AW_CL)"bootstrap.hlp"); |
---|
1009 | return; |
---|
1010 | case 2: |
---|
1011 | return; |
---|
1012 | default: |
---|
1013 | break; |
---|
1014 | } |
---|
1015 | aw_openstatus("Calculate tree"); |
---|
1016 | ph_calculate_matrix_cb(aww,bootstrap_flag); |
---|
1017 | matr = PHMATRIX::ROOT; |
---|
1018 | if (!matr) return; |
---|
1019 | all_names = (char **)calloc(sizeof(char *),(size_t)matr->nentries+2); |
---|
1020 | for (long i=0;i<matr->nentries;i++){ |
---|
1021 | all_names[i] = strdup(matr->entries[i]->name); |
---|
1022 | } |
---|
1023 | ctree_init(matr->nentries,all_names); |
---|
1024 | }else{ |
---|
1025 | aw_openstatus("Calculate tree"); |
---|
1026 | } |
---|
1027 | do { |
---|
1028 | if (bootstrap_flag) { |
---|
1029 | loop_count++; |
---|
1030 | if (aw_status(GBS_global_string("Tree #%i",loop_count))) break; // end of bootstrap |
---|
1031 | delete PHMATRIX::ROOT;PHMATRIX::ROOT = 0; |
---|
1032 | } |
---|
1033 | error = ph_calculate_matrix_cb(aww,bootstrap_flag); |
---|
1034 | if (error && !strcmp(error,"Aborted")) break; |
---|
1035 | if (!PHMATRIX::ROOT) return; |
---|
1036 | |
---|
1037 | matr = PHMATRIX::ROOT; |
---|
1038 | char **names = (char **)calloc(sizeof(char *),(size_t)matr->nentries+2); |
---|
1039 | for (long i=0;i<matr->nentries;i++){ |
---|
1040 | names[i] = matr->entries[i]->name; |
---|
1041 | } |
---|
1042 | tree = neighbourjoining(names,matr->matrix->m,matr->nentries,sizeof(GBT_TREE)); |
---|
1043 | if (0){ |
---|
1044 | FILE *out = fopen(GBS_global_string("tree_%i",loop_count),"w"); |
---|
1045 | GBT_export_tree(gb_main,out,tree,GB_FALSE); |
---|
1046 | fclose(out); |
---|
1047 | } |
---|
1048 | if (bootstrap_flag){ |
---|
1049 | insert_ctree(tree,1); |
---|
1050 | GBT_delete_tree(tree); tree = 0; |
---|
1051 | } |
---|
1052 | delete names; |
---|
1053 | |
---|
1054 | }while(bootstrap_flag); |
---|
1055 | |
---|
1056 | if (bootstrap_flag){ |
---|
1057 | tree = get_ctree(); |
---|
1058 | } |
---|
1059 | { |
---|
1060 | char *tree_name = aw_root->awar("dist/tree/tree_name")->read_string(); |
---|
1061 | GB_begin_transaction(gb_main); |
---|
1062 | error = GBT_write_tree(gb_main,0,tree_name,tree); |
---|
1063 | if (error) { |
---|
1064 | GB_abort_transaction(gb_main); |
---|
1065 | aw_message(error); |
---|
1066 | }else{ |
---|
1067 | char *filter_name = aw_root->awar("dist/filter/name")->read_string(); |
---|
1068 | int transr = aw_root->awar("dist/correction/trans")->read_int(); |
---|
1069 | |
---|
1070 | char *comment = (char *)GBS_global_string("PRG=dnadist CORR=%s FILTER=%s PKG=ARB", |
---|
1071 | enum_trans_to_string[transr], /*filter_name*/AWT_get_combined_filter_name(aw_root)); |
---|
1072 | delete filter_name; |
---|
1073 | GBT_write_tree_rem(gb_main,tree_name,comment); |
---|
1074 | GB_commit_transaction(gb_main); |
---|
1075 | } |
---|
1076 | delete tree_name; |
---|
1077 | } |
---|
1078 | if (tree) GBT_delete_tree(tree); |
---|
1079 | aw_closestatus(); |
---|
1080 | aw_status(); // remove flag |
---|
1081 | if (bootstrap_flag){ |
---|
1082 | GBT_free_names(all_names); |
---|
1083 | delete PHMATRIX::ROOT;PHMATRIX::ROOT = 0; |
---|
1084 | } |
---|
1085 | } |
---|
1086 | |
---|
1087 | |
---|
1088 | void ph_autodetect_callback(AW_window *aww) |
---|
1089 | { |
---|
1090 | GB_push_transaction(gb_main); |
---|
1091 | if (PHMATRIX::ROOT){ |
---|
1092 | delete PHMATRIX::ROOT; |
---|
1093 | PHMATRIX::ROOT = 0; |
---|
1094 | } |
---|
1095 | AW_root *aw_root = aww->get_root(); |
---|
1096 | char *use = aw_root->awar("dist/alignment")->read_string(); |
---|
1097 | long ali_len = GBT_get_alignment_len(gb_main,use); |
---|
1098 | if (ali_len<=0) { |
---|
1099 | GB_pop_transaction(gb_main); |
---|
1100 | delete use; |
---|
1101 | aw_message("Please select a valid alignment"); |
---|
1102 | return; |
---|
1103 | } |
---|
1104 | |
---|
1105 | aw_openstatus("Analysing data..."); |
---|
1106 | aw_status("Read the database"); |
---|
1107 | |
---|
1108 | PHMATRIX *phm = new PHMATRIX(gb_main,aw_root); |
---|
1109 | char *filter_str = aw_root->awar("dist/filter/filter")->read_string(); |
---|
1110 | char *cancel = aw_root->awar("dist/cancel/chars")->read_string(); |
---|
1111 | |
---|
1112 | AP_filter *ap_filter = new AP_filter; |
---|
1113 | long flen = strlen(filter_str); |
---|
1114 | if (flen == ali_len){ |
---|
1115 | ap_filter->init(filter_str,"0",ali_len); |
---|
1116 | }else{ |
---|
1117 | if (flen){ |
---|
1118 | aw_message("WARNING: YOUR FILTER LEN IS NOT THE ALIGNMENT LEN\nFILTER IS TRUNCATED WITH ZEROS OR CUTTED"); |
---|
1119 | ap_filter->init(filter_str,"0",ali_len); |
---|
1120 | }else{ |
---|
1121 | ap_filter->init(ali_len); |
---|
1122 | } |
---|
1123 | } |
---|
1124 | |
---|
1125 | AP_weights *ap_weights = new AP_weights; |
---|
1126 | ap_weights->init(ap_filter); |
---|
1127 | |
---|
1128 | AP_smatrix *ap_ratematrix = 0; |
---|
1129 | |
---|
1130 | char *load_what = aw_root->awar("dist/which_species")->read_string(); |
---|
1131 | char *sort_tree_name = aw_root->awar("dist/tree/sort_tree_name")->read_string(); |
---|
1132 | int all_flag = 0; |
---|
1133 | if (!strcmp(load_what,"all")) all_flag = 1; |
---|
1134 | |
---|
1135 | delete phm->ROOT; |
---|
1136 | phm->ROOT = 0; |
---|
1137 | phm->load(use,ap_filter,ap_weights,ap_ratematrix,all_flag, sort_tree_name); |
---|
1138 | free(sort_tree_name); |
---|
1139 | GB_pop_transaction(gb_main); |
---|
1140 | |
---|
1141 | aw_status("Search Correction"); |
---|
1142 | |
---|
1143 | PH_TRANSFORMATION trans; |
---|
1144 | trans = (PH_TRANSFORMATION)aw_root->awar("dist/correction/trans")->read_int(); |
---|
1145 | |
---|
1146 | |
---|
1147 | char *error = phm->analyse(aw_root); |
---|
1148 | aw_closestatus(); |
---|
1149 | |
---|
1150 | delete phm; |
---|
1151 | if (error) aw_message(error); |
---|
1152 | |
---|
1153 | delete load_what; |
---|
1154 | |
---|
1155 | delete cancel; |
---|
1156 | delete ap_filter; |
---|
1157 | delete ap_weights; |
---|
1158 | delete ap_ratematrix; |
---|
1159 | |
---|
1160 | delete use; |
---|
1161 | delete filter_str; |
---|
1162 | } |
---|
1163 | |
---|
1164 | void ap_exit(AW_window *) |
---|
1165 | { |
---|
1166 | if (gb_main) GB_exit(gb_main); |
---|
1167 | exit(0); |
---|
1168 | } |
---|
1169 | |
---|
1170 | void ph_calculate_full_matrix_cb(AW_window *aww){ |
---|
1171 | if (PHMATRIX::ROOT && PHMATRIX::ROOT->matrix_type == PH_MATRIX_FULL) return; |
---|
1172 | delete_matrix_cb(0); |
---|
1173 | ph_calculate_matrix_cb(aww,0); |
---|
1174 | if (ph_dmatrix){ |
---|
1175 | ph_dmatrix->resized(); |
---|
1176 | ph_dmatrix->display(); |
---|
1177 | } |
---|
1178 | } |
---|
1179 | |
---|
1180 | void ph_compress_tree_cb(AW_window *aww){ |
---|
1181 | GB_transaction dummy(gb_main); |
---|
1182 | char *treename = aww->get_root()->awar("dist/tree/compr_tree_name")->read_string(); |
---|
1183 | GB_ERROR error = 0; |
---|
1184 | GBT_TREE *tree = GBT_read_tree(gb_main,treename,sizeof(GBT_TREE)); |
---|
1185 | if (!tree) error = "Please select a valid tree first"; |
---|
1186 | |
---|
1187 | if (PHMATRIX::ROOT && PHMATRIX::ROOT->matrix_type!=PH_MATRIX_COMPRESSED){ |
---|
1188 | delete_matrix_cb(0); // delete wrong matrix !!! |
---|
1189 | } |
---|
1190 | |
---|
1191 | ph_calculate_matrix_cb(aww,0); |
---|
1192 | if (!PHMATRIX::ROOT) error = "Cannot calculate your matrix"; |
---|
1193 | |
---|
1194 | if (!error) { |
---|
1195 | error = PHMATRIX::ROOT->compress(tree); |
---|
1196 | } |
---|
1197 | |
---|
1198 | if (tree) GBT_delete_tree(tree); |
---|
1199 | |
---|
1200 | if (error) { |
---|
1201 | aw_message(error); |
---|
1202 | } |
---|
1203 | else { |
---|
1204 | // aww->hide(); |
---|
1205 | if (ph_dmatrix){ |
---|
1206 | ph_dmatrix->resized(); |
---|
1207 | ph_dmatrix->display(); |
---|
1208 | } |
---|
1209 | } |
---|
1210 | delete treename; |
---|
1211 | } |
---|
1212 | |
---|
1213 | /* |
---|
1214 | AW_window *create_select_compress_tree(AW_root *awr){ |
---|
1215 | static AW_window_simple *aws = 0; |
---|
1216 | if (aws) return (AW_window *)aws; |
---|
1217 | |
---|
1218 | aws = new AW_window_simple; |
---|
1219 | aws->init( awr, "SELECT_TREE_TO_COMPRESS_MATRIX", "SELECT A TREE TO COMPRESS MATRIX", 400, 200 ); |
---|
1220 | aws->at(10,10); |
---|
1221 | aws->auto_space(0,0); |
---|
1222 | awt_create_selection_list_on_trees(gb_main,(AW_window *)aws,"dist/compress/tree_name"); |
---|
1223 | aws->at_newline(); |
---|
1224 | |
---|
1225 | aws->callback(AW_POPDOWN); |
---|
1226 | aws->create_button("CLOSE", "CLOSE","C"); |
---|
1227 | |
---|
1228 | aws->callback(ph_compress_tree_cb); |
---|
1229 | aws->help_text("compress_tree.hlp"); |
---|
1230 | aws->create_button("GO", "DO IT","D"); |
---|
1231 | |
---|
1232 | aws->callback(AW_POPUP_HELP,(AW_CL)"compress_tree.hlp"); |
---|
1233 | aws->create_button("HELP", "HELP","H"); |
---|
1234 | |
---|
1235 | aws->window_fit(); |
---|
1236 | return (AW_window *)aws; |
---|
1237 | } |
---|
1238 | */ |
---|
1239 | |
---|
1240 | static void ph_define_sort_tree_name_cb(AW_window *aww) { |
---|
1241 | AW_root *aw_root = aww->get_root(); |
---|
1242 | char *tree_name = aw_root->awar("dist/tree/list_tree_name")->read_string(); |
---|
1243 | aw_root->awar("dist/tree/sort_tree_name")->write_string(tree_name); |
---|
1244 | free(tree_name); |
---|
1245 | } |
---|
1246 | static void ph_define_compression_tree_name_cb(AW_window *aww) { |
---|
1247 | AW_root *aw_root = aww->get_root(); |
---|
1248 | char *tree_name = aw_root->awar("dist/tree/list_tree_name")->read_string(); |
---|
1249 | aw_root->awar("dist/tree/compr_tree_name")->write_string(tree_name); |
---|
1250 | free(tree_name); |
---|
1251 | } |
---|
1252 | |
---|
1253 | static void ph_define_save_tree_name_cb(AW_window *aww) { |
---|
1254 | AW_root *aw_root = aww->get_root(); |
---|
1255 | char *tree_name = aw_root->awar("dist/tree/list_tree_name")->read_string(); |
---|
1256 | aw_root->awar("dist/tree/tree_name")->write_string(tree_name); |
---|
1257 | free(tree_name); |
---|
1258 | } |
---|
1259 | |
---|
1260 | AW_window *create_matrix_window(AW_root *aw_root) { |
---|
1261 | AW_window_simple_menu *aws = new AW_window_simple_menu; |
---|
1262 | aws->init( aw_root, "NEIGHBOR JOINING", "NEIGHBOR JOINING", 900,900,10, 10 ); |
---|
1263 | aws->load_xfig("ph_ge_ma.fig"); |
---|
1264 | aws->button_length( 10 ); |
---|
1265 | |
---|
1266 | aws->at("close"); |
---|
1267 | aws->callback(ap_exit); |
---|
1268 | aws->create_button("CLOSE", "CLOSE","C"); |
---|
1269 | |
---|
1270 | aws->at("help"); |
---|
1271 | aws->callback(AW_POPUP_HELP,(AW_CL)"dist.hlp"); |
---|
1272 | aws->create_button("HELP", "HELP","H"); |
---|
1273 | |
---|
1274 | |
---|
1275 | GB_push_transaction(gb_main); |
---|
1276 | |
---|
1277 | // aws->at("close");aws->callback((AW_CB0)AW_POPDOWN); |
---|
1278 | // aws->create_button("CLOSE","C"); |
---|
1279 | |
---|
1280 | aws->create_menu( 0, "FILE", "F", "HELP for Window", AWM_ALL ); |
---|
1281 | aws->insert_menu_topic( "macros", "Macros ...", "M", "macro.hlp", AWM_ALL, (AW_CB)AW_POPUP, (AW_CL)awt_open_macro_window,(AW_CL)"NEIGHBOR_JOINING" ); |
---|
1282 | aws->insert_menu_topic( "quit", "Quit", "Q", "quit.hlp", AWM_ALL, (AW_CB)ap_exit , 0, 0 ); |
---|
1283 | |
---|
1284 | aws->create_menu( 0, "Properties", "P", "properties.hlp", AWM_ALL); |
---|
1285 | aws->insert_menu_topic( "frame_props", "Frame ...", "F", "props_frame.hlp", AWM_ALL, AW_POPUP, (AW_CL)AW_preset_window, 0 ); |
---|
1286 | aws->insert_menu_topic( "save_props", "Save Properties (in ~/.arb_prop/dist.arb)", "S", "savedef.hlp", AWM_ALL, (AW_CB)AW_save_defaults, 0, 0 ); |
---|
1287 | |
---|
1288 | aws->insert_help_topic( "help", "help ...", "h", "dist.hlp", AWM_ALL, (AW_CB)AW_POPUP_HELP, (AW_CL)"dist.hlp", 0 ); |
---|
1289 | |
---|
1290 | aws->at( "which_species" ); |
---|
1291 | aws->create_option_menu( "dist/which_species" ); |
---|
1292 | aws->insert_option( "all", "a", "all" ); |
---|
1293 | aws->insert_default_option( "marked", "m", "marked" ); |
---|
1294 | aws->update_option_menu(); |
---|
1295 | |
---|
1296 | aws->at("which_alignment"); |
---|
1297 | awt_create_selection_list_on_ad(gb_main, |
---|
1298 | (AW_window *)aws,"dist/alignment","*="); |
---|
1299 | |
---|
1300 | |
---|
1301 | aws->at("filter_select"); |
---|
1302 | AW_CL filtercd = awt_create_select_filter(aws->get_root(),gb_main,"dist/filter/name"); |
---|
1303 | dist_filter_cl = filtercd; |
---|
1304 | aws->callback(AW_POPUP,(AW_CL)awt_create_select_filter_win,filtercd); |
---|
1305 | aws->create_button("SELECT_FILTER", "dist/filter/name"); |
---|
1306 | |
---|
1307 | aws->at("weights_select"); |
---|
1308 | global_csp = new AWT_csp(gb_main,aws->get_root(),"dist/col_stat/name"); |
---|
1309 | aws->callback(AW_POPUP,(AW_CL)create_csp_window, (AW_CL)global_csp); |
---|
1310 | aws->create_button("SELECT_COL_STAT","dist/col_stat/name"); |
---|
1311 | |
---|
1312 | aws->at("which_cancel"); |
---|
1313 | aws->create_input_field("dist/cancel/chars",12); |
---|
1314 | |
---|
1315 | aws->at("cancel_select"); |
---|
1316 | aws->callback((AW_CB1)AW_POPUP,(AW_CL)awt_create_select_cancel_window); |
---|
1317 | aws->create_button("SELECT_CANCEL_CHARS", "SELECT","C"); |
---|
1318 | |
---|
1319 | aws->at("change_matrix"); |
---|
1320 | aws->callback(AW_POPUP,(AW_CL)create_dna_matrix_window,0); |
---|
1321 | aws->create_button("EDIT_MATRIX", "Edit Matrix"); |
---|
1322 | |
---|
1323 | aws->at("enable"); |
---|
1324 | aws->create_toggle("tmp/" AWAR_MATRIX_DNA_PREFIX "/enable"); |
---|
1325 | |
---|
1326 | aws->at("which_correction"); |
---|
1327 | aws->create_option_menu( "dist/correction/trans", NULL ,"" ); |
---|
1328 | aws->insert_option( "none", "n", (int)PH_TRANSFORMATION_NONE); |
---|
1329 | aws->insert_option( "similarity", "n", (int)PH_TRANSFORMATION_SIMILARITY); |
---|
1330 | aws->insert_option( "jukes-cantor (dna)","c", (int)PH_TRANSFORMATION_JUKES_CANTOR ); |
---|
1331 | aws->insert_option( "felsenstein (dna)", "f", (int)PH_TRANSFORMATION_FELSENSTEIN ); |
---|
1332 | aws->insert_option("olsen (dna)", "o", (int)PH_TRANSFORMATION_OLSEN); |
---|
1333 | aws->insert_option("felsenstein/voigt (exp)", "1", (int)PH_TRANSFORMATION_FELSENSTEIN_VOIGT); |
---|
1334 | aws->insert_option("olsen/voigt (exp)", "2", (int)PH_TRANSFORMATION_OLSEN_VOIGT); |
---|
1335 | aws->insert_option( "haesch (exp)", "f", (int)PH_TRANSFORMATION_HAESCH ); |
---|
1336 | aws->insert_option( "kimura (pro)", "k", (int)PH_TRANSFORMATION_KIMURA ); |
---|
1337 | aws->insert_option( "PAM (protein)", "c", (int)PH_TRANSFORMATION_PAM ); |
---|
1338 | aws->insert_option( "Cat. Hall(exp)", "c", (int)PH_TRANSFORMATION_CATEGORIES_HALL ); |
---|
1339 | aws->insert_option( "Cat. Barker(exp)", "c", (int)PH_TRANSFORMATION_CATEGORIES_BARKER ); |
---|
1340 | aws->insert_option( "Cat.Chem (exp)", "c", (int)PH_TRANSFORMATION_CATEGORIES_CHEMICAL ); |
---|
1341 | // aws->insert_option("Maximum Likelihood (exp)","l", (int)PH_TRANSFORMATION_NONE); |
---|
1342 | aws->insert_default_option("unknown", "u", (int)PH_TRANSFORMATION_NONE); |
---|
1343 | |
---|
1344 | aws->update_option_menu(); |
---|
1345 | |
---|
1346 | aws->button_length(18); |
---|
1347 | |
---|
1348 | // aws->at("compress"); |
---|
1349 | // aws->callback(AW_POPUP, (AW_CL)create_select_compress_tree,0); |
---|
1350 | // aws->help_text("compress_tree.hlp"); |
---|
1351 | // aws->create_button("CALC_COMPRESSED_MATRIX", "Calculate\nCompressed M. ...","C"); |
---|
1352 | |
---|
1353 | aws->at("compress"); |
---|
1354 | aws->callback(ph_compress_tree_cb); |
---|
1355 | aws->create_button("CALC_COMPRESSED_MATRIX", "Calculate\nCompressed Matrix","C"); |
---|
1356 | |
---|
1357 | aws->at("calculate"); |
---|
1358 | aws->callback(ph_calculate_full_matrix_cb); |
---|
1359 | aws->create_button("CALC_FULL_MATRIX", "Calculate\nFull Matrix","F"); |
---|
1360 | |
---|
1361 | aws->button_length(12); |
---|
1362 | |
---|
1363 | aws->at("save_matrix"); |
---|
1364 | aws->callback(AW_POPUP, (AW_CL)create_save_matrix_window,(AW_CL)"tmp/dist/save_matrix"); |
---|
1365 | aws->create_button("SAVE_MATRIX", "SAVE MATRIX","M"); |
---|
1366 | |
---|
1367 | aws->at("view_matrix"); |
---|
1368 | aws->callback(ph_view_matrix_cb); |
---|
1369 | aws->create_button("VIEW_MATRIX", "VIEW MATRIX","V"); |
---|
1370 | |
---|
1371 | aws->at("tree_list"); |
---|
1372 | awt_create_selection_list_on_trees(gb_main,(AW_window *)aws,"dist/tree/list_tree_name"); |
---|
1373 | |
---|
1374 | aws->at("t_calculate"); |
---|
1375 | aws->callback(ph_calculate_tree_cb,0); |
---|
1376 | aws->create_button("CALC_TREE", "CALCULATE \nTREE","C"); |
---|
1377 | |
---|
1378 | aws->at("bootstrap"); |
---|
1379 | aws->callback(ph_calculate_tree_cb,1); |
---|
1380 | aws->create_button("CALC_BOOTSTRAP_TREE", "CALCULATE \nBOOTSTRAP TREE"); |
---|
1381 | |
---|
1382 | aws->at("autodetect"); // auto |
---|
1383 | aws->callback(ph_autodetect_callback); |
---|
1384 | aws->create_button("AUTODETECT_CORRECTION", "AUTODETECT","A"); |
---|
1385 | |
---|
1386 | aws->at("sort_tree_name"); |
---|
1387 | aws->create_input_field("dist/tree/sort_tree_name",12); |
---|
1388 | aws->at("compr_tree_name"); |
---|
1389 | aws->create_input_field("dist/tree/compr_tree_name",12); |
---|
1390 | aws->at("calc_tree_name"); |
---|
1391 | aws->create_input_field("dist/tree/tree_name",12); |
---|
1392 | |
---|
1393 | aws->button_length(22); |
---|
1394 | |
---|
1395 | aws->at("use_compr_tree"); |
---|
1396 | aws->callback(ph_define_compression_tree_name_cb); |
---|
1397 | aws->create_button("USE_COMPRESSION_TREE", "Use to compress", ""); |
---|
1398 | |
---|
1399 | aws->at("use_sort_tree"); |
---|
1400 | aws->callback(ph_define_sort_tree_name_cb); |
---|
1401 | aws->create_button("USE_SORT_TREE", "Use to sort", ""); |
---|
1402 | |
---|
1403 | aws->at("use_existing"); |
---|
1404 | aws->callback(ph_define_save_tree_name_cb); |
---|
1405 | aws->create_button("USE_NAME", "Use as new tree name", ""); |
---|
1406 | |
---|
1407 | GB_pop_transaction(gb_main); |
---|
1408 | return (AW_window *)aws; |
---|
1409 | } |
---|