1 | // ==================================================================== // |
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2 | // // |
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3 | // File : SQ_functions.cxx // |
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4 | // Purpose : Implementation of SQ_functions.h // |
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5 | // // |
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6 | // // |
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7 | // Coded by Juergen Huber in July 2003 - February 2004 // |
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8 | // Coded by Kai Bader (baderk@in.tum.de) in 2007 - 2008 // |
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9 | // Copyright Department of Microbiology (Technical University Munich) // |
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10 | // // |
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11 | // Visit our web site at: http://www.arb-home.de/ // |
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12 | // // |
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13 | // ==================================================================== // |
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14 | |
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15 | #include "SQ_ambiguities.h" |
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16 | #include "SQ_helix.h" |
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17 | #include "SQ_physical_layout.h" |
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18 | #include "SQ_functions.h" |
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19 | |
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20 | #include <aw_preset.hxx> |
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21 | #include <arb_progress.h> |
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22 | #include <arbdbt.h> |
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23 | |
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24 | using namespace std; |
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25 | |
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26 | static SQ_GroupDataDictionary group_dict; |
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27 | |
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28 | enum { |
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29 | CS_CLEAR, CS_PASS1 |
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30 | }; |
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31 | |
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32 | void SQ_clear_group_dictionary() { |
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33 | SQ_GroupDataDictionary tmp; |
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34 | swap(tmp, group_dict); |
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35 | } |
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36 | |
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37 | static GB_ERROR no_data_error(GBDATA * gb_species, const char *ali_name) { |
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38 | GBDATA *gb_name = GB_entry(gb_species, "name"); |
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39 | const char *name = "<unknown>"; |
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40 | if (gb_name) |
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41 | name = GB_read_char_pntr(gb_name); |
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42 | return GBS_global_string("Species '%s' has no data in alignment '%s'", |
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43 | name, ali_name); |
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44 | } |
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45 | |
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46 | static int sq_round(double value) { |
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47 | int x; |
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48 | |
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49 | value += 0.5; |
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50 | x = (int) floor(value); |
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51 | return x; |
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52 | } |
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53 | |
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54 | GB_ERROR SQ_remove_quality_entries(GBDATA *gb_main) { |
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55 | GB_push_transaction(gb_main); |
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56 | GB_ERROR error = NULL; |
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57 | |
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58 | for (GBDATA *gb_species = GBT_first_species(gb_main); gb_species && !error; gb_species |
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59 | = GBT_next_species(gb_species)) { |
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60 | GBDATA *gb_quality = GB_search(gb_species, "quality", GB_FIND); |
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61 | if (gb_quality) |
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62 | error = GB_delete(gb_quality); |
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63 | } |
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64 | if (error) |
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65 | GB_abort_transaction(gb_main); |
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66 | else |
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67 | GB_pop_transaction(gb_main); |
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68 | return error; |
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69 | } |
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70 | |
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71 | GB_ERROR SQ_evaluate(GBDATA * gb_main, const SQ_weights & weights, bool marked_only) { |
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72 | char *alignment_name; |
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73 | |
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74 | GBDATA *gb_species; |
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75 | GBDATA *gb_name; |
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76 | GBDATA *(*getFirst)(GBDATA *) = 0; |
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77 | GBDATA *(*getNext)(GBDATA *) = 0; |
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78 | GB_ERROR error = 0; |
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79 | |
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80 | GB_push_transaction(gb_main); |
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81 | alignment_name = GBT_get_default_alignment(gb_main); seq_assert(alignment_name); |
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82 | |
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83 | if (marked_only) { |
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84 | getFirst = GBT_first_marked_species; |
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85 | getNext = GBT_next_marked_species; |
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86 | } |
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87 | else { |
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88 | getFirst = GBT_first_species; |
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89 | getNext = GBT_next_species; |
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90 | } |
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91 | |
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92 | for (gb_species = getFirst(gb_main); gb_species && !error; gb_species = getNext(gb_species)) { |
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93 | gb_name = GB_entry(gb_species, "name"); |
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94 | |
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95 | if (!gb_name) |
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96 | error = GB_get_error(); |
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97 | else { |
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98 | GBDATA *gb_quality = GB_entry(gb_species, "quality"); |
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99 | if (gb_quality) { |
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100 | GBDATA *gb_quality_ali = GB_entry(gb_quality, alignment_name); |
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101 | |
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102 | if (!gb_quality_ali) { |
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103 | error = GBS_global_string("No alignment entry '%s' in quality data", alignment_name); |
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104 | } |
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105 | else { |
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106 | int bases = 0; |
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107 | int dfa = 0; |
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108 | int noh = 0; |
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109 | int cos = 0; |
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110 | int iupv = 0; |
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111 | int gcprop = 0; |
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112 | int value2 = 0; |
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113 | double value = 0; |
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114 | double result = 0; |
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115 | |
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116 | // evaluate the percentage of bases the actual sequence consists of |
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117 | GBDATA *gb_result1 = GB_search(gb_quality_ali, "percent_of_bases", GB_INT); |
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118 | bases = GB_read_int(gb_result1); |
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119 | if (bases < 4) |
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120 | result = 0; |
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121 | else { |
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122 | if (bases < 6) |
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123 | result = 1; |
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124 | else { |
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125 | result = 2; |
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126 | } |
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127 | } |
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128 | if (result != 0) |
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129 | result = (result * weights.bases) / 2; |
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130 | value += result; |
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131 | |
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132 | // evaluate the difference in number of bases from sequence to group |
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133 | GBDATA *gb_result2 = GB_search(gb_quality_ali, |
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134 | "percent_base_deviation", GB_INT); |
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135 | dfa = GB_read_int(gb_result2); |
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136 | if (abs(dfa) < 2) |
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137 | result = 5; |
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138 | else { |
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139 | if (abs(dfa) < 4) |
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140 | result = 4; |
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141 | else { |
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142 | if (abs(dfa) < 6) |
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143 | result = 3; |
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144 | else { |
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145 | if (abs(dfa) < 8) |
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146 | result = 2; |
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147 | else { |
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148 | if (abs(dfa) < 10) |
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149 | result = 1; |
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150 | else { |
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151 | result = 0; |
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152 | } |
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153 | } |
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154 | } |
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155 | } |
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156 | } |
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157 | if (result != 0) |
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158 | result = (result * weights.diff_from_average) / 5; |
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159 | value += result; |
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160 | |
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161 | // evaluate the number of positions where no helix can be built |
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162 | GBDATA *gb_result3 = GB_search(gb_quality_ali, |
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163 | "number_of_no_helix", GB_INT); |
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164 | noh = GB_read_int(gb_result3); |
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165 | if (noh < 20) |
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166 | result = 5; |
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167 | else { |
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168 | if (noh < 50) |
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169 | result = 4; |
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170 | else { |
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171 | if (noh < 125) |
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172 | result = 3; |
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173 | else { |
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174 | if (noh < 250) |
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175 | result = 2; |
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176 | else { |
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177 | if (noh < 500) |
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178 | result = 1; |
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179 | else { |
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180 | result = 0; |
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181 | } |
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182 | } |
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183 | } |
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184 | } |
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185 | } |
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186 | if (result != 0) |
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187 | result = (result * weights.helix) / 5; |
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188 | value += result; |
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189 | |
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190 | // evaluate the consensus |
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191 | GBDATA *gb_result4 = GB_search(gb_quality_ali, |
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192 | "consensus_evaluated", GB_INT); |
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193 | cos = GB_read_int(gb_result4); |
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194 | result = cos; |
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195 | if (result != 0) |
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196 | result = (result * weights.consensus) / 12; |
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197 | value += result; |
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198 | |
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199 | // evaluate the number of iupacs in a sequence |
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200 | GBDATA *gb_result5 = GB_search(gb_quality_ali, |
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201 | "iupac_value", GB_INT); |
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202 | iupv = GB_read_int(gb_result5); |
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203 | if (iupv < 1) |
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204 | result = 3; |
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205 | else { |
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206 | if (iupv < 5) |
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207 | result = 2; |
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208 | else { |
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209 | if (iupv < 10) |
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210 | result = 1; |
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211 | else { |
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212 | result = 0; |
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213 | } |
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214 | } |
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215 | } |
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216 | if (result != 0) |
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217 | result = (result * weights.iupac) / 3; |
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218 | value += result; |
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219 | |
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220 | // evaluate the difference in the GC proportion from sequence to group |
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221 | GBDATA *gb_result6 = GB_search(gb_quality_ali, |
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222 | "percent_GC_difference", GB_INT); |
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223 | gcprop = GB_read_int(gb_result6); |
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224 | if (abs(gcprop) < 1) |
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225 | result = 5; |
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226 | else { |
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227 | if (abs(gcprop) < 2) |
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228 | result = 4; |
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229 | else { |
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230 | if (abs(gcprop) < 4) |
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231 | result = 3; |
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232 | else { |
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233 | if (abs(gcprop) < 8) |
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234 | result = 2; |
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235 | else { |
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236 | if (abs(gcprop) < 16) |
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237 | result = 1; |
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238 | else { |
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239 | result = 0; |
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240 | } |
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241 | } |
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242 | } |
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243 | } |
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244 | } |
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245 | if (result != 0) |
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246 | result = (result * weights.gc) / 5; |
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247 | value += result; |
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248 | |
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249 | // write the final value of the evaluation |
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250 | value2 = sq_round(value); |
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251 | GBDATA *gb_result7 = GB_search(gb_quality_ali, |
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252 | "evaluation", GB_INT); |
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253 | seq_assert(gb_result7); |
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254 | GB_write_int(gb_result7, value2); |
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255 | } |
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256 | } |
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257 | } |
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258 | } |
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259 | free(alignment_name); |
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260 | |
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261 | if (error) |
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262 | GB_abort_transaction(gb_main); |
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263 | else |
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264 | GB_pop_transaction(gb_main); |
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265 | |
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266 | return error; |
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267 | } |
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268 | |
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269 | static char *SQ_fetch_filtered_sequence(GBDATA * read_sequence, AP_filter * filter) { |
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270 | char *filteredSequence = 0; |
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271 | if (read_sequence) { |
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272 | const char *rawSequence = GB_read_char_pntr(read_sequence); |
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273 | int filteredLength = filter->get_filtered_length(); |
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274 | const size_t *filterpos_2_seqpos = filter->get_filterpos_2_seqpos(); |
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275 | |
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276 | filteredSequence = (char*)malloc(filteredLength * sizeof(char)); |
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277 | if (filteredSequence) { |
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278 | for (int i = 0; i < filteredLength; ++i) { |
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279 | filteredSequence[i] = rawSequence[filterpos_2_seqpos[i]]; |
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280 | } |
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281 | } |
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282 | } |
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283 | return filteredSequence; |
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284 | } |
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285 | |
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286 | static GB_ERROR SQ_pass1(SQ_GroupData * globalData, GBDATA * gb_main, GBT_TREE * node, AP_filter * filter) { |
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287 | char *alignment_name; |
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288 | GBDATA *read_sequence = 0; |
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289 | GBDATA *gb_species; |
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290 | GBDATA *gb_name; |
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291 | GB_ERROR error = 0; |
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292 | |
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293 | GB_push_transaction(gb_main); |
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294 | alignment_name = GBT_get_default_alignment(gb_main); seq_assert(alignment_name); |
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295 | gb_species = node->gb_node; |
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296 | gb_name = GB_entry(gb_species, "name"); |
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297 | |
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298 | if (!gb_name) error = GB_get_error(); |
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299 | else { |
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300 | GBDATA *gb_ali = GB_entry(gb_species, alignment_name); |
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301 | |
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302 | if (!gb_ali) { |
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303 | error = no_data_error(gb_species, alignment_name); |
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304 | } |
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305 | else { |
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306 | GBDATA *gb_quality = GB_search(gb_species, "quality", GB_CREATE_CONTAINER); |
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307 | |
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308 | if (!gb_quality) { |
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309 | error = GB_get_error(); |
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310 | } |
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311 | |
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312 | read_sequence = GB_entry(gb_ali, "data"); |
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313 | |
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314 | GBDATA *gb_quality_ali = GB_search(gb_quality, alignment_name, GB_CREATE_CONTAINER); |
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315 | if (!gb_quality_ali) |
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316 | error = GB_get_error(); |
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317 | |
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318 | // real calculations start here |
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319 | if (read_sequence) { |
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320 | char *rawSequence = SQ_fetch_filtered_sequence(read_sequence, filter); |
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321 | int sequenceLength = filter->get_filtered_length(); |
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322 | |
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323 | // calculate physical layout of sequence |
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324 | { |
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325 | SQ_physical_layout ps_chan; |
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326 | ps_chan.SQ_calc_physical_layout(rawSequence, sequenceLength, gb_quality_ali); |
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327 | |
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328 | // calculate the average number of bases in group |
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329 | globalData->SQ_count_sequences(); |
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330 | globalData->SQ_set_avg_bases(ps_chan. |
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331 | SQ_get_number_of_bases()); |
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332 | globalData->SQ_set_avg_gc(ps_chan. |
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333 | SQ_get_gc_proportion()); |
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334 | } |
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335 | |
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336 | // get values for ambiguities |
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337 | { |
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338 | SQ_ambiguities ambi_chan; |
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339 | ambi_chan.SQ_count_ambiguities(rawSequence, sequenceLength, gb_quality_ali); |
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340 | } |
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341 | |
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342 | // calculate the number of strong, weak and no helixes |
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343 | { |
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344 | SQ_helix heli_chan(sequenceLength); |
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345 | heli_chan.SQ_calc_helix_layout(rawSequence, gb_main, alignment_name, gb_quality_ali, filter); |
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346 | } |
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347 | |
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348 | // calculate consensus sequence |
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349 | { |
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350 | if (!globalData->SQ_is_initialized()) { |
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351 | globalData->SQ_init_consensus(sequenceLength); |
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352 | } |
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353 | globalData->SQ_add_sequence(rawSequence); |
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354 | } |
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355 | |
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356 | free(rawSequence); |
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357 | } |
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358 | } |
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359 | } |
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360 | |
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361 | free(alignment_name); |
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362 | |
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363 | if (error) |
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364 | GB_abort_transaction(gb_main); |
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365 | else |
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366 | GB_pop_transaction(gb_main); |
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367 | |
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368 | return error; |
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369 | } |
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370 | |
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371 | GB_ERROR SQ_pass1_no_tree(SQ_GroupData * globalData, GBDATA * gb_main, AP_filter * filter, arb_progress& progress) { |
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372 | char *alignment_name; |
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373 | |
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374 | GBDATA *read_sequence = 0; |
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375 | GBDATA *gb_species; |
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376 | GBDATA *gb_name; |
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377 | GBDATA *(*getFirst)(GBDATA *) = 0; |
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378 | GBDATA *(*getNext)(GBDATA *) = 0; |
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379 | GB_ERROR error = 0; |
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380 | |
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381 | GB_push_transaction(gb_main); |
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382 | alignment_name = GBT_get_default_alignment(gb_main); seq_assert(alignment_name); |
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383 | |
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384 | getFirst = GBT_first_species; |
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385 | getNext = GBT_next_species; |
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386 | |
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387 | // first pass operations |
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388 | for (gb_species = getFirst(gb_main); gb_species && !error; gb_species = getNext(gb_species)) { |
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389 | gb_name = GB_entry(gb_species, "name"); |
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390 | |
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391 | if (!gb_name) |
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392 | error = GB_get_error(); |
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393 | else { |
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394 | GBDATA *gb_ali = GB_entry(gb_species, alignment_name); |
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395 | |
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396 | if (!gb_ali) { |
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397 | error = no_data_error(gb_species, alignment_name); |
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398 | } |
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399 | else { |
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400 | GBDATA *gb_quality = GB_search(gb_species, "quality", GB_CREATE_CONTAINER); |
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401 | if (!gb_quality) { |
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402 | error = GB_get_error(); |
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403 | } |
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404 | |
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405 | read_sequence = GB_entry(gb_ali, "data"); |
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406 | |
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407 | GBDATA *gb_quality_ali = GB_search(gb_quality, alignment_name, GB_CREATE_CONTAINER); |
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408 | if (!gb_quality_ali) |
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409 | error = GB_get_error(); |
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410 | |
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411 | // real calculations start here |
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412 | if (read_sequence) { |
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413 | char *rawSequence = SQ_fetch_filtered_sequence(read_sequence, filter); |
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414 | int sequenceLength = filter->get_filtered_length(); |
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415 | |
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416 | // calculate physical layout of sequence |
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417 | SQ_physical_layout *ps_chan = new SQ_physical_layout(); |
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418 | ps_chan->SQ_calc_physical_layout(rawSequence, sequenceLength, gb_quality_ali); |
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419 | |
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420 | // calculate the average number of bases in group |
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421 | globalData->SQ_count_sequences(); |
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422 | globalData->SQ_set_avg_bases(ps_chan->SQ_get_number_of_bases()); |
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423 | globalData->SQ_set_avg_gc(ps_chan->SQ_get_gc_proportion()); |
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424 | delete ps_chan; |
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425 | |
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426 | // get values for ambiguities |
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427 | SQ_ambiguities *ambi_chan = new SQ_ambiguities(); |
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428 | ambi_chan->SQ_count_ambiguities(rawSequence, sequenceLength, gb_quality_ali); |
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429 | delete ambi_chan; |
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430 | |
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431 | // calculate the number of strong, weak and no helixes |
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432 | SQ_helix *heli_chan = new SQ_helix(sequenceLength); |
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433 | heli_chan->SQ_calc_helix_layout(rawSequence, gb_main, alignment_name, gb_quality_ali, filter); |
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434 | delete heli_chan; |
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435 | |
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436 | // calculate consensus sequence |
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437 | { |
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438 | if (!globalData->SQ_is_initialized()) { |
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439 | globalData->SQ_init_consensus(sequenceLength); |
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440 | } |
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441 | globalData->SQ_add_sequence(rawSequence); |
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442 | } |
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443 | delete(rawSequence); |
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444 | } |
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445 | } |
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446 | } |
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447 | progress.inc_and_check_user_abort(error); |
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448 | } |
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449 | |
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450 | free(alignment_name); |
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451 | |
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452 | if (error) |
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453 | GB_abort_transaction(gb_main); |
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454 | else |
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455 | GB_pop_transaction(gb_main); |
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456 | |
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457 | return error; |
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458 | } |
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459 | |
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460 | static GB_ERROR SQ_pass2(const SQ_GroupData * globalData, GBDATA * gb_main, |
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461 | GBT_TREE * node, AP_filter * filter) { |
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462 | char *alignment_name; |
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463 | |
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464 | GBDATA *read_sequence = 0; |
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465 | GBDATA *gb_species; |
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466 | GBDATA *gb_name; |
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467 | GB_ERROR error = 0; |
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468 | |
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469 | GB_push_transaction(gb_main); |
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470 | alignment_name = GBT_get_default_alignment(gb_main); seq_assert(alignment_name); |
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471 | gb_species = node->gb_node; |
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472 | gb_name = GB_entry(gb_species, "name"); |
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473 | |
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474 | if (!gb_name) error = GB_get_error(); |
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475 | else { |
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476 | GBDATA *gb_ali = GB_entry(gb_species, alignment_name); |
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477 | |
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478 | if (!gb_ali) { |
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479 | error = no_data_error(gb_species, alignment_name); |
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480 | } |
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481 | else { |
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482 | GBDATA *gb_quality = GB_search(gb_species, "quality", |
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483 | GB_CREATE_CONTAINER); |
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484 | if (!gb_quality) |
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485 | error = GB_get_error(); |
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486 | |
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487 | GBDATA *gb_quality_ali = GB_search(gb_quality, alignment_name, |
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488 | GB_CREATE_CONTAINER); |
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489 | if (!gb_quality_ali) |
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490 | error = GB_get_error(); |
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491 | |
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492 | read_sequence = GB_entry(gb_ali, "data"); |
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493 | |
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494 | // real calculations start here |
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495 | if (read_sequence) { |
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496 | double value1 = 0; |
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497 | double value2 = 0; |
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498 | double eval = 0; |
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499 | int value3 = 0; |
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500 | int evaluation = 0; |
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501 | int bases = 0; |
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502 | int avg_bases = 0; |
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503 | double diff = 0; |
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504 | int diff_percent = 0; |
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505 | double avg_gc = 0; |
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506 | double gcp = 0; |
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507 | |
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508 | char *rawSequence = SQ_fetch_filtered_sequence(read_sequence, filter); |
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509 | |
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510 | /* |
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511 | calculate the average number of bases in group, and the difference of |
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512 | a single sequence in group from it |
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513 | */ |
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514 | GBDATA *gb_result1 = GB_search(gb_quality_ali, "number_of_bases", GB_INT); |
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515 | bases = GB_read_int(gb_result1); |
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516 | avg_bases = globalData->SQ_get_avg_bases(); |
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517 | |
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518 | if (avg_bases != 0) { |
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519 | diff = bases - avg_bases; |
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520 | diff = (100 * diff) / avg_bases; |
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521 | diff_percent = sq_round(diff); |
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522 | } |
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523 | |
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524 | GBDATA *gb_result2 = GB_search(gb_quality_ali, "percent_base_deviation", GB_INT); |
---|
525 | seq_assert(gb_result2); |
---|
526 | GB_write_int(gb_result2, diff_percent); |
---|
527 | |
---|
528 | /* |
---|
529 | calculate the average gc proportion in group, and the difference of |
---|
530 | a single sequence in group from it |
---|
531 | */ |
---|
532 | GBDATA *gb_result6 = GB_search(gb_quality_ali, "GC_proportion", GB_FLOAT); |
---|
533 | gcp = GB_read_float(gb_result6); |
---|
534 | avg_gc = globalData->SQ_get_avg_gc(); |
---|
535 | |
---|
536 | if (avg_gc != 0) { |
---|
537 | diff = gcp - avg_gc; |
---|
538 | diff = (100 * diff) / avg_gc; |
---|
539 | diff_percent = sq_round(diff); |
---|
540 | } |
---|
541 | |
---|
542 | GBDATA *gb_result7 = GB_search(gb_quality_ali, "percent_GC_difference", GB_INT); |
---|
543 | seq_assert(gb_result7); |
---|
544 | GB_write_int(gb_result7, diff_percent); |
---|
545 | |
---|
546 | /* |
---|
547 | get groupnames of visited groups |
---|
548 | search for name in group dictionary |
---|
549 | evaluate sequence with group consensus |
---|
550 | */ |
---|
551 | GBDATA *gb_con = GB_search(gb_quality_ali, "consensus_conformity", GB_CREATE_CONTAINER); |
---|
552 | if (!gb_con) |
---|
553 | error = GB_get_error(); |
---|
554 | GBDATA *gb_dev = GB_search(gb_quality_ali, "consensus_deviation", GB_CREATE_CONTAINER); |
---|
555 | if (!gb_dev) |
---|
556 | error = GB_get_error(); |
---|
557 | |
---|
558 | GBT_TREE *backup = node; // needed? |
---|
559 | int whilecounter = 0; |
---|
560 | while (backup->father) { |
---|
561 | if (backup->name) { |
---|
562 | SQ_GroupDataDictionary::iterator GDI = group_dict.find(backup->name); |
---|
563 | if (GDI != group_dict.end()) { |
---|
564 | SQ_GroupDataPtr GD_ptr = GDI->second; |
---|
565 | |
---|
566 | consensus_result cr = GD_ptr->SQ_calc_consensus(rawSequence); |
---|
567 | value1 = cr.conformity; |
---|
568 | value2 = cr.deviation; |
---|
569 | value3 = GD_ptr->SQ_get_nr_sequences(); |
---|
570 | |
---|
571 | GBDATA *gb_node_entry = GB_search(gb_con, "name", GB_STRING); |
---|
572 | seq_assert(gb_node_entry); |
---|
573 | GB_write_string(gb_node_entry, backup->name); |
---|
574 | |
---|
575 | gb_node_entry = GB_search(gb_con, "value", GB_FLOAT); seq_assert(gb_node_entry); |
---|
576 | GB_write_float(gb_node_entry, value1); |
---|
577 | |
---|
578 | gb_node_entry = GB_search(gb_con, "num_species", GB_INT); seq_assert(gb_node_entry); |
---|
579 | GB_write_int(gb_node_entry, value3); |
---|
580 | |
---|
581 | gb_node_entry = GB_search(gb_dev, "name", GB_STRING); seq_assert(gb_node_entry); |
---|
582 | GB_write_string(gb_node_entry, backup->name); |
---|
583 | |
---|
584 | gb_node_entry = GB_search(gb_dev, "value", GB_FLOAT); seq_assert(gb_node_entry); |
---|
585 | GB_write_float(gb_node_entry, value2); |
---|
586 | |
---|
587 | gb_node_entry = GB_search(gb_dev, "num_species", GB_INT); seq_assert(gb_node_entry); |
---|
588 | GB_write_int(gb_node_entry, value3); |
---|
589 | |
---|
590 | // if you parse the upper two values in the evaluate() function cut the following out |
---|
591 | // for time reasons i do the evaluation here, as i still have the upper two values |
---|
592 | // -------------cut this----------------- |
---|
593 | if (value1 > 0.95) |
---|
594 | eval += 5; |
---|
595 | else { |
---|
596 | if (value1 > 0.8) |
---|
597 | eval += 4; |
---|
598 | else { |
---|
599 | if (value1 > 0.6) |
---|
600 | eval += 3; |
---|
601 | else { |
---|
602 | if (value1 > 0.4) |
---|
603 | eval += 2; |
---|
604 | else { |
---|
605 | if (value1 > 0.25) |
---|
606 | eval += 1; |
---|
607 | else { |
---|
608 | eval += 0; |
---|
609 | } |
---|
610 | } |
---|
611 | } |
---|
612 | } |
---|
613 | } |
---|
614 | if (value2 > 0.6) |
---|
615 | eval += 0; |
---|
616 | else { |
---|
617 | if (value2 > 0.4) |
---|
618 | eval += 1; |
---|
619 | else { |
---|
620 | if (value2 > 0.2) |
---|
621 | eval += 2; |
---|
622 | else { |
---|
623 | if (value2 > 0.1) |
---|
624 | eval += 3; |
---|
625 | else { |
---|
626 | if (value2 > 0.05) |
---|
627 | eval += 4; |
---|
628 | else { |
---|
629 | if (value2 > 0.025) |
---|
630 | eval += 5; |
---|
631 | else { |
---|
632 | if (value2 > 0.01) |
---|
633 | eval += 6; |
---|
634 | else { |
---|
635 | eval += 7; |
---|
636 | } |
---|
637 | } |
---|
638 | } |
---|
639 | } |
---|
640 | } |
---|
641 | } |
---|
642 | } |
---|
643 | whilecounter++; |
---|
644 | // ---------to this and scroll down-------- |
---|
645 | } |
---|
646 | } |
---|
647 | backup = backup->father; |
---|
648 | } |
---|
649 | |
---|
650 | // --------also cut this------ |
---|
651 | if (eval != 0) { |
---|
652 | eval = eval / whilecounter; |
---|
653 | evaluation = sq_round(eval); |
---|
654 | } |
---|
655 | GBDATA *gb_result5 = GB_search(gb_quality_ali, "consensus_evaluated", GB_INT); |
---|
656 | seq_assert(gb_result5); |
---|
657 | GB_write_int(gb_result5, evaluation); |
---|
658 | // --------end cut this------- |
---|
659 | |
---|
660 | free(rawSequence); |
---|
661 | } |
---|
662 | } |
---|
663 | } |
---|
664 | |
---|
665 | free(alignment_name); |
---|
666 | |
---|
667 | if (error) |
---|
668 | GB_abort_transaction(gb_main); |
---|
669 | else |
---|
670 | GB_pop_transaction(gb_main); |
---|
671 | |
---|
672 | return error; |
---|
673 | } |
---|
674 | |
---|
675 | GB_ERROR SQ_pass2_no_tree(const SQ_GroupData * globalData, GBDATA * gb_main, AP_filter * filter, arb_progress& progress) { |
---|
676 | char *alignment_name; |
---|
677 | |
---|
678 | GBDATA *read_sequence = 0; |
---|
679 | GBDATA *gb_species; |
---|
680 | GBDATA *gb_name; |
---|
681 | GBDATA *(*getFirst)(GBDATA *) = 0; |
---|
682 | GBDATA *(*getNext)(GBDATA *) = 0; |
---|
683 | GB_ERROR error = 0; |
---|
684 | |
---|
685 | GB_push_transaction(gb_main); |
---|
686 | alignment_name = GBT_get_default_alignment(gb_main); seq_assert(alignment_name); |
---|
687 | getFirst = GBT_first_species; |
---|
688 | getNext = GBT_next_species; |
---|
689 | |
---|
690 | // second pass operations |
---|
691 | for (gb_species = getFirst(gb_main); gb_species && !error; gb_species = getNext(gb_species)) { |
---|
692 | gb_name = GB_entry(gb_species, "name"); |
---|
693 | |
---|
694 | if (!gb_name) |
---|
695 | error = GB_get_error(); |
---|
696 | else { |
---|
697 | GBDATA *gb_ali = GB_entry(gb_species, alignment_name); |
---|
698 | if (!gb_ali) { |
---|
699 | error = no_data_error(gb_species, alignment_name); |
---|
700 | } |
---|
701 | else { |
---|
702 | GBDATA *gb_quality = GB_search(gb_species, "quality", GB_CREATE_CONTAINER); |
---|
703 | if (!gb_quality) |
---|
704 | error = GB_get_error(); |
---|
705 | |
---|
706 | GBDATA *gb_quality_ali = GB_search(gb_quality, alignment_name, GB_CREATE_CONTAINER); |
---|
707 | if (!gb_quality_ali) |
---|
708 | error = GB_get_error(); |
---|
709 | |
---|
710 | read_sequence = GB_entry(gb_ali, "data"); |
---|
711 | |
---|
712 | // real calculations start here |
---|
713 | if (read_sequence) { |
---|
714 | double value1 = 0; |
---|
715 | double value2 = 0; |
---|
716 | double eval = 0; |
---|
717 | int value3 = 0; |
---|
718 | int evaluation = 0; |
---|
719 | int bases = 0; |
---|
720 | int avg_bases = 0; |
---|
721 | double diff = 0; |
---|
722 | int diff_percent = 0; |
---|
723 | double avg_gc = 0; |
---|
724 | double gcp = 0; |
---|
725 | |
---|
726 | const char *rawSequence = SQ_fetch_filtered_sequence(read_sequence, filter); |
---|
727 | |
---|
728 | /* |
---|
729 | calculate the average number of bases in group, and the difference of |
---|
730 | a single sequence in group from it |
---|
731 | */ |
---|
732 | GBDATA *gb_result1 = GB_search(gb_quality_ali, "number_of_bases", GB_INT); |
---|
733 | bases = GB_read_int(gb_result1); |
---|
734 | avg_bases = globalData->SQ_get_avg_bases(); |
---|
735 | |
---|
736 | if (avg_bases != 0) { |
---|
737 | diff = bases - avg_bases; |
---|
738 | diff = (100 * diff) / avg_bases; |
---|
739 | diff_percent = sq_round(diff); |
---|
740 | } |
---|
741 | |
---|
742 | GBDATA *gb_result2 = GB_search(gb_quality_ali, "percent_base_deviation", GB_INT); |
---|
743 | seq_assert(gb_result2); |
---|
744 | GB_write_int(gb_result2, diff_percent); |
---|
745 | |
---|
746 | /* |
---|
747 | calculate the average gc proportion in group, and the difference of |
---|
748 | a single sequence in group from it |
---|
749 | */ |
---|
750 | GBDATA *gb_result6 = GB_search(gb_quality_ali, "GC_proportion", GB_FLOAT); |
---|
751 | gcp = GB_read_float(gb_result6); |
---|
752 | avg_gc = globalData->SQ_get_avg_gc(); |
---|
753 | |
---|
754 | if (avg_gc != 0) { |
---|
755 | diff = gcp - avg_gc; |
---|
756 | diff = (100 * diff) / avg_gc; |
---|
757 | diff_percent = sq_round(diff); |
---|
758 | } |
---|
759 | |
---|
760 | GBDATA *gb_result7 = GB_search(gb_quality_ali, "percent_GC_difference", GB_INT); |
---|
761 | seq_assert(gb_result7); |
---|
762 | GB_write_int(gb_result7, diff_percent); |
---|
763 | |
---|
764 | /* |
---|
765 | get groupnames of visited groups |
---|
766 | search for name in group dictionary |
---|
767 | evaluate sequence with group consensus |
---|
768 | */ |
---|
769 | GBDATA *gb_con = GB_search(gb_quality_ali, "consensus_conformity", GB_CREATE_CONTAINER); |
---|
770 | if (!gb_con) |
---|
771 | error = GB_get_error(); |
---|
772 | GBDATA *gb_dev = GB_search(gb_quality_ali, "consensus_deviation", GB_CREATE_CONTAINER); |
---|
773 | if (!gb_dev) |
---|
774 | error = GB_get_error(); |
---|
775 | |
---|
776 | consensus_result cr = globalData->SQ_calc_consensus(rawSequence); |
---|
777 | value1 = cr.conformity; |
---|
778 | value2 = cr.deviation; |
---|
779 | value3 = globalData->SQ_get_nr_sequences(); |
---|
780 | |
---|
781 | GBDATA *gb_node_entry = GB_search(gb_con, "name", GB_STRING); |
---|
782 | seq_assert(gb_node_entry); |
---|
783 | GB_write_string(gb_node_entry, "one global consensus"); |
---|
784 | |
---|
785 | gb_node_entry = GB_search(gb_con, "value", GB_FLOAT); seq_assert(gb_node_entry); |
---|
786 | GB_write_float(gb_node_entry, value1); |
---|
787 | |
---|
788 | gb_node_entry = GB_search(gb_con, "num_species", GB_INT); seq_assert(gb_node_entry); |
---|
789 | GB_write_int(gb_node_entry, value3); |
---|
790 | |
---|
791 | gb_node_entry = GB_search(gb_dev, "name", GB_STRING); seq_assert(gb_node_entry); |
---|
792 | GB_write_string(gb_node_entry, "one global consensus"); |
---|
793 | |
---|
794 | gb_node_entry = GB_search(gb_dev, "value", GB_FLOAT); seq_assert(gb_node_entry); |
---|
795 | GB_write_float(gb_node_entry, value2); |
---|
796 | |
---|
797 | gb_node_entry = GB_search(gb_dev, "num_species", GB_INT); seq_assert(gb_node_entry); |
---|
798 | GB_write_int(gb_node_entry, value3); |
---|
799 | |
---|
800 | // if you parse the upper two values in the evaluate() function cut the following out |
---|
801 | // for time reasons i do the evaluation here, as i still have the upper two values |
---|
802 | // -------------cut this----------------- |
---|
803 | if (value1 > 0.95) |
---|
804 | eval += 5; |
---|
805 | else { |
---|
806 | if (value1 > 0.8) |
---|
807 | eval += 4; |
---|
808 | else { |
---|
809 | if (value1 > 0.6) |
---|
810 | eval += 3; |
---|
811 | else { |
---|
812 | if (value1 > 0.4) |
---|
813 | eval += 2; |
---|
814 | else { |
---|
815 | if (value1 > 0.25) |
---|
816 | eval += 1; |
---|
817 | else { |
---|
818 | eval += 0; |
---|
819 | } |
---|
820 | } |
---|
821 | } |
---|
822 | } |
---|
823 | } |
---|
824 | if (value2 > 0.6) |
---|
825 | eval += 0; |
---|
826 | else { |
---|
827 | if (value2 > 0.4) |
---|
828 | eval += 1; |
---|
829 | else { |
---|
830 | if (value2 > 0.2) |
---|
831 | eval += 2; |
---|
832 | else { |
---|
833 | if (value2 > 0.1) |
---|
834 | eval += 3; |
---|
835 | else { |
---|
836 | if (value2 > 0.05) |
---|
837 | eval += 4; |
---|
838 | else { |
---|
839 | if (value2 > 0.025) |
---|
840 | eval += 5; |
---|
841 | else { |
---|
842 | if (value2 > 0.01) |
---|
843 | eval += 6; |
---|
844 | else { |
---|
845 | eval += 7; |
---|
846 | } |
---|
847 | } |
---|
848 | } |
---|
849 | } |
---|
850 | } |
---|
851 | } |
---|
852 | } |
---|
853 | |
---|
854 | if (eval != 0) { |
---|
855 | evaluation = sq_round(eval); |
---|
856 | } |
---|
857 | GBDATA *gb_result5 = GB_search(gb_quality_ali, "consensus_evaluated", GB_INT); |
---|
858 | seq_assert(gb_result5); |
---|
859 | GB_write_int(gb_result5, evaluation); |
---|
860 | // --------end cut this------- |
---|
861 | delete(rawSequence); |
---|
862 | } |
---|
863 | } |
---|
864 | } |
---|
865 | progress.inc_and_check_user_abort(error); |
---|
866 | } |
---|
867 | free(alignment_name); |
---|
868 | |
---|
869 | if (error) |
---|
870 | GB_abort_transaction(gb_main); |
---|
871 | else |
---|
872 | GB_pop_transaction(gb_main); |
---|
873 | |
---|
874 | return error; |
---|
875 | } |
---|
876 | |
---|
877 | int SQ_count_nodes(GBT_TREE *node) { |
---|
878 | // calculate number of nodes in tree |
---|
879 | return GBT_count_leafs(node)*2-1; |
---|
880 | } |
---|
881 | |
---|
882 | static void create_multi_level_consensus(GBT_TREE * node, SQ_GroupData * data) { |
---|
883 | SQ_GroupData *newData = data->clone(); // save actual consensus |
---|
884 | *newData = *data; |
---|
885 | group_dict[node->name] = newData; // and link it with an name |
---|
886 | } |
---|
887 | |
---|
888 | void SQ_calc_and_apply_group_data(GBT_TREE * node, GBDATA * gb_main, SQ_GroupData * data, AP_filter * filter, arb_progress& progress) { |
---|
889 | if (node->is_leaf) { |
---|
890 | if (node->gb_node) { |
---|
891 | SQ_pass1(data, gb_main, node, filter); seq_assert(data->getSize()> 0); |
---|
892 | } |
---|
893 | } |
---|
894 | else { |
---|
895 | SQ_GroupData *leftData = NULL; |
---|
896 | SQ_GroupData *rightData = NULL; |
---|
897 | GBT_TREE *node1 = node->leftson; |
---|
898 | GBT_TREE *node2 = node->rightson; |
---|
899 | bool parentIsEmpty = false; |
---|
900 | |
---|
901 | if (node->name) { |
---|
902 | if (data->getSize() == 0) { |
---|
903 | parentIsEmpty = true; |
---|
904 | SQ_calc_and_apply_group_data(node1, gb_main, data, filter, progress); // process left branch with empty data |
---|
905 | seq_assert(data->getSize()> 0); |
---|
906 | } |
---|
907 | else { |
---|
908 | leftData = data->clone(); // create new empty SQ_GroupData |
---|
909 | SQ_calc_and_apply_group_data(node1, gb_main, leftData, filter, progress); // process left branch |
---|
910 | seq_assert(leftData->getSize()> 0); |
---|
911 | } |
---|
912 | |
---|
913 | rightData = data->clone(); // create new empty SQ_GroupData |
---|
914 | SQ_calc_and_apply_group_data(node2, gb_main, rightData, filter, progress); // process right branch |
---|
915 | seq_assert(rightData->getSize()> 0); |
---|
916 | |
---|
917 | if (!parentIsEmpty) { |
---|
918 | data->SQ_add(*leftData); |
---|
919 | delete leftData; |
---|
920 | } |
---|
921 | |
---|
922 | data->SQ_add(*rightData); |
---|
923 | delete rightData; |
---|
924 | |
---|
925 | create_multi_level_consensus(node, data); |
---|
926 | } |
---|
927 | else { |
---|
928 | SQ_calc_and_apply_group_data(node1, gb_main, data, filter, progress); // enter left branch |
---|
929 | seq_assert(data->getSize()> 0); |
---|
930 | |
---|
931 | SQ_calc_and_apply_group_data(node2, gb_main, data, filter, progress); // enter right branch |
---|
932 | seq_assert(data->getSize()> 0); |
---|
933 | } |
---|
934 | } |
---|
935 | progress.inc(); |
---|
936 | } |
---|
937 | |
---|
938 | void SQ_calc_and_apply_group_data2(GBT_TREE * node, GBDATA * gb_main, const SQ_GroupData * data, AP_filter * filter, arb_progress& progress) { |
---|
939 | if (node->is_leaf) { |
---|
940 | if (node->gb_node) { |
---|
941 | SQ_pass2(data, gb_main, node, filter); |
---|
942 | } |
---|
943 | } |
---|
944 | else { |
---|
945 | GBT_TREE *node1 = node->leftson; |
---|
946 | GBT_TREE *node2 = node->rightson; |
---|
947 | |
---|
948 | if (node1) SQ_calc_and_apply_group_data2(node1, gb_main, data, filter, progress); |
---|
949 | if (node2) SQ_calc_and_apply_group_data2(node2, gb_main, data, filter, progress); |
---|
950 | } |
---|
951 | progress.inc(); |
---|
952 | } |
---|
953 | |
---|
954 | // marks species that are below threshold "evaluation" |
---|
955 | GB_ERROR SQ_mark_species(GBDATA * gb_main, int condition, bool marked_only) { |
---|
956 | char *alignment_name; |
---|
957 | int result = 0; |
---|
958 | |
---|
959 | GBDATA *read_sequence = 0; |
---|
960 | GBDATA *gb_species; |
---|
961 | GB_ERROR error = 0; |
---|
962 | |
---|
963 | GB_push_transaction(gb_main); |
---|
964 | alignment_name = GBT_get_default_alignment(gb_main); seq_assert(alignment_name); |
---|
965 | |
---|
966 | GBDATA *(*getFirst)(GBDATA *) = 0; |
---|
967 | GBDATA *(*getNext)(GBDATA *) = 0; |
---|
968 | |
---|
969 | if (marked_only) { |
---|
970 | getFirst = GBT_first_marked_species; |
---|
971 | getNext = GBT_next_marked_species; |
---|
972 | } |
---|
973 | else { |
---|
974 | getFirst = GBT_first_species; |
---|
975 | getNext = GBT_next_species; |
---|
976 | } |
---|
977 | |
---|
978 | for (gb_species = getFirst(gb_main); gb_species; gb_species = getNext(gb_species)) { |
---|
979 | GBDATA *gb_ali = GB_entry(gb_species, alignment_name); |
---|
980 | bool marked = false; |
---|
981 | if (gb_ali) { |
---|
982 | GBDATA *gb_quality = GB_search(gb_species, "quality", GB_CREATE_CONTAINER); |
---|
983 | if (gb_quality) { |
---|
984 | read_sequence = GB_entry(gb_ali, "data"); |
---|
985 | if (read_sequence) { |
---|
986 | GBDATA *gb_quality_ali = GB_search(gb_quality, alignment_name, GB_CREATE_CONTAINER); |
---|
987 | if (gb_quality_ali) { |
---|
988 | GBDATA *gb_result1 = GB_search(gb_quality_ali, "evaluation", GB_INT); |
---|
989 | result = GB_read_int(gb_result1); |
---|
990 | |
---|
991 | if (result < condition) marked = true; |
---|
992 | } |
---|
993 | } |
---|
994 | } |
---|
995 | } |
---|
996 | |
---|
997 | if (GB_read_flag(gb_species) != marked) { |
---|
998 | GB_write_flag(gb_species, marked); |
---|
999 | } |
---|
1000 | } |
---|
1001 | free(alignment_name); |
---|
1002 | |
---|
1003 | if (error) |
---|
1004 | GB_abort_transaction(gb_main); |
---|
1005 | else |
---|
1006 | GB_pop_transaction(gb_main); |
---|
1007 | |
---|
1008 | return error; |
---|
1009 | } |
---|
1010 | |
---|
1011 | SQ_TREE_ERROR SQ_check_tree_structure(GBT_TREE * node) { |
---|
1012 | SQ_TREE_ERROR retval = NONE; |
---|
1013 | |
---|
1014 | if (!node) |
---|
1015 | return MISSING_NODE; |
---|
1016 | |
---|
1017 | if (node->is_leaf) { |
---|
1018 | if (!node->gb_node) |
---|
1019 | retval = ZOMBIE; |
---|
1020 | } |
---|
1021 | else { |
---|
1022 | retval = SQ_check_tree_structure(node->leftson); |
---|
1023 | if (retval == NONE) |
---|
1024 | retval = SQ_check_tree_structure(node->rightson); |
---|
1025 | } |
---|
1026 | |
---|
1027 | return retval; |
---|
1028 | } |
---|