| 1 | /* ----------------------------------------------------------------- |
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| 2 | * Project: ARB |
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| 3 | * |
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| 4 | * Module: consensus [abbrev.:CON] |
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| 5 | * |
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| 6 | * Exported Classes: x |
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| 7 | * |
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| 8 | * Global Functions: x |
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| 9 | * |
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| 10 | * Global Variables: AWARS: |
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| 11 | * AW_STRING, "tmp/con/alignment" : name of alignment |
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| 12 | * AW_STRING, "tmp/con/which_species" : only marked species ? |
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| 13 | * AW_STRING, "con/group" : allow Sgrouping ? |
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| 14 | * AW_STRING, "con/countgaps" |
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| 15 | * AW_DOUBLE, "con/fupper" |
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| 16 | * AW_INT, "con/lower" |
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| 17 | * AW_INT, "con/gapbound" : result is '-' if more than |
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| 18 | * 'gapbound' per cent gaps |
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| 19 | * AW_DOUBLE, "con/fconsidbound" : if frequency of character is |
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| 20 | * more than 'fconsidbound' per cent, this |
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| 21 | * character can contribute to groups |
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| 22 | * AW_STRING, "tmp/con/name" : save with this name |
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| 23 | * AW_STRING, "con/result" : result has one or more lines ? |
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| 24 | * |
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| 25 | * Global Structures: x |
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| 26 | * |
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| 27 | * Private Classes: . |
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| 28 | * |
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| 29 | * Private Functions: . |
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| 30 | * |
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| 31 | * Private Variables: . |
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| 32 | * |
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| 33 | * Dependencies: Needs consens.fig and CON_groups.fig |
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| 34 | * |
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| 35 | * Description: This module calculates the consensus of sequences of |
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| 36 | * bases or amino acids. The result can be one or more lines |
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| 37 | * of characters and it is written to the extended data of |
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| 38 | * the alignment. |
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| 39 | * |
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| 40 | * Integration Notes: To use this module the main function must have a |
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| 41 | * callback to the function |
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| 42 | * AW_window *AP_open_consensus_window( AW_root *aw_root) |
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| 43 | * and the function void AP_create_consensus_var |
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| 44 | * (AW_root *aw_root, AW_default aw_def) has to be called. |
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| 45 | * |
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| 46 | * ----------------------------------------------------------------- |
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| 47 | */ |
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| 48 | |
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| 49 | #include "NT_local.h" |
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| 50 | #include <awt_sel_boxes.hxx> |
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| 51 | #include <arb_progress.h> |
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| 52 | #include <aw_root.hxx> |
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| 53 | #include <aw_msg.hxx> |
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| 54 | #include <aw_awar.hxx> |
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| 55 | #include <arbdbt.h> |
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| 56 | #include <arb_strbuf.h> |
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| 57 | |
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| 58 | #define AWAR_MAX_FREQ "tmp/CON_MAX_FREQ/" |
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| 59 | |
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| 60 | #define AWAR_MAX_FREQ_NO_GAPS AWAR_MAX_FREQ "no_gaps" |
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| 61 | #define AWAR_MAX_FREQ_SAI_NAME AWAR_MAX_FREQ "sai_name" |
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| 62 | |
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| 63 | enum { |
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| 64 | BAS_GAP, |
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| 65 | BAS_A, BAS_C, BAS_G, BAS_T, BAS_N, |
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| 66 | |
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| 67 | MAX_BASES, |
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| 68 | MAX_AMINOS = 27, |
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| 69 | MAX_GROUPS = 40 |
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| 70 | }; |
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| 71 | |
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| 72 | /* ----------------------------------------------------------------- |
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| 73 | * Function: CON_evaluatestatistic |
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| 74 | * |
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| 75 | * Arguments: int **statistic,char **groupflags, |
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| 76 | * char *groupnames |
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| 77 | * Returns: char *result |
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| 78 | * |
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| 79 | * Description: This function creates one or more result strings out |
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| 80 | * of table statistic. Memory for result is allocated |
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| 81 | * and later freed in function CON_calculate_cb |
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| 82 | * |
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| 83 | * NOTE: Usage of groupflags and groupnames see function |
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| 84 | * CON_makegrouptable. |
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| 85 | * |
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| 86 | * Global Variables referenced: . |
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| 87 | * |
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| 88 | * Global Variables modified: x |
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| 89 | * |
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| 90 | * AWARs referenced: . |
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| 91 | * |
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| 92 | * AWARs modified: x |
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| 93 | * |
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| 94 | * Dependencies: Always check that behavior is identical to that |
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| 95 | * of ED4_char_table::build_consensus_string() |
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| 96 | * ----------------------------------------------------------------- |
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| 97 | */ |
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| 98 | static void CON_evaluatestatistic(char *&result, int **statistic, char **groupflags, |
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| 99 | char *groupnames, int alignlength, double fupper, int lower, |
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| 100 | double fconsidbound, int gapbound, int countgap, int numgroups) |
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| 101 | { |
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| 102 | int row=0; |
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| 103 | int j = 0; |
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| 104 | int groupfr[MAX_GROUPS]; // frequency of group |
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| 105 | int highestfr, highestgr; |
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| 106 | |
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| 107 | arb_progress progress("calculating result", alignlength); |
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| 108 | |
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| 109 | result=(char *)GB_calloc(alignlength+1, 1); |
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| 110 | |
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| 111 | for (int column=0; column<alignlength; column++) { |
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| 112 | long numentries = 0; |
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| 113 | for (row=0; statistic[row]; row++) numentries += statistic[row][column]; |
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| 114 | if (numentries==0) { |
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| 115 | result[column]='.'; |
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| 116 | } |
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| 117 | else { |
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| 118 | if (numentries-statistic[0][column]==0) { |
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| 119 | result[column]='='; // 100 per cent `-` -> `=` |
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| 120 | } |
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| 121 | else { |
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| 122 | if (!countgap) { |
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| 123 | numentries -= statistic[0][column]; |
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| 124 | statistic[0][column]=0; |
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| 125 | } |
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| 126 | |
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| 127 | if ((statistic[0][column]*100/numentries)>gapbound) { |
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| 128 | result[column]='-'; |
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| 129 | } |
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| 130 | else { |
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| 131 | for (j=0; j<numgroups; j++) { |
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| 132 | groupfr[j]=0; |
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| 133 | } |
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| 134 | |
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| 135 | row=0; |
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| 136 | while (statistic[row]) { |
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| 137 | if ((statistic[row][column]*100.0)>=fconsidbound*numentries) { |
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| 138 | for (j=numgroups-1; j>=0; j--) { |
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| 139 | if (groupflags[j][row]) { |
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| 140 | groupfr[j] += statistic[row][column]; |
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| 141 | } |
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| 142 | } |
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| 143 | } |
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| 144 | row++; |
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| 145 | } |
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| 146 | |
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| 147 | highestfr=0; |
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| 148 | highestgr=0; |
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| 149 | for (j=0; j<numgroups; j++) { |
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| 150 | if (groupfr[j] > highestfr) { |
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| 151 | highestfr=groupfr[j]; |
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| 152 | highestgr=j; |
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| 153 | } |
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| 154 | } |
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| 155 | |
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| 156 | if ((highestfr*100.0/numentries)>=fupper) { |
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| 157 | result[column]=groupnames[highestgr]; |
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| 158 | } |
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| 159 | else if ((highestfr*100/numentries)>=lower) { |
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| 160 | char c=groupnames[highestgr]; |
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| 161 | if (c>='A' && c<='Z') { |
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| 162 | c=c-'A'+'a'; |
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| 163 | } |
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| 164 | result[column]=c; |
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| 165 | } |
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| 166 | else { |
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| 167 | result[column]='.'; |
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| 168 | } |
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| 169 | } |
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| 170 | } |
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| 171 | } |
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| 172 | ++progress; |
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| 173 | } |
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| 174 | } |
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| 175 | |
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| 176 | |
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| 177 | |
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| 178 | /* ----------------------------------------------------------------- |
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| 179 | * Function: CON_makegrouptable |
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| 180 | * |
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| 181 | * Arguments: . |
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| 182 | * |
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| 183 | * Returns: char **gf [groupflags],char *groupnames |
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| 184 | * |
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| 185 | * Description: Creates table groupflags that is used in function |
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| 186 | * CON_evaluatestatistic. E.g. gf[10][3]=1 means, that |
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| 187 | * all characters c with convtable[c]==3 are members |
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| 188 | * of group 10. |
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| 189 | * Table groupnames is also created. |
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| 190 | * E.g. c=groupnames[5] gives abbrev of 5th group. |
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| 191 | * |
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| 192 | * NOTE: . |
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| 193 | * |
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| 194 | * Global Variables referenced: . |
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| 195 | * |
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| 196 | * Global Variables modified: x |
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| 197 | * |
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| 198 | * AWARs referenced: . |
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| 199 | * |
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| 200 | * AWARs modified: x |
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| 201 | * |
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| 202 | * Dependencies: . |
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| 203 | * ----------------------------------------------------------------- |
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| 204 | */ |
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| 205 | static int CON_makegrouptable(char **gf, char *groupnames, |
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| 206 | int isamino, int groupallowed) |
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| 207 | { |
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| 208 | for (int j=0; j<MAX_GROUPS; j++) { |
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| 209 | gf[j]=(char *)GB_calloc(MAX_GROUPS, 1); } |
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| 210 | |
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| 211 | if (!isamino) |
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| 212 | { |
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| 213 | strcpy(groupnames, "-ACGUMRWSYKVHDBN\0"); |
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| 214 | for (int i=1; i<MAX_BASES; i++) { |
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| 215 | gf[i][i]=1; } |
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| 216 | if (groupallowed) |
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| 217 | { |
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| 218 | gf[5][BAS_A]=1; gf[5][BAS_C]=1; |
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| 219 | gf[6][BAS_A]=1; gf[6][BAS_G]=1; |
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| 220 | gf[7][BAS_A]=1; gf[7][BAS_T]=1; |
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| 221 | gf[8][BAS_C]=1; gf[8][BAS_G]=1; |
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| 222 | gf[9][BAS_C]=1; gf[9][BAS_T]=1; |
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| 223 | gf[10][BAS_G]=1; gf[10][BAS_T]=1; |
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| 224 | gf[11][BAS_A]=1; gf[11][BAS_C]=1; gf[11][BAS_G]=1; |
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| 225 | gf[12][BAS_A]=1; gf[12][BAS_C]=1; gf[12][BAS_T]=1; |
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| 226 | gf[13][BAS_A]=1; gf[13][BAS_G]=1; gf[13][BAS_T]=1; |
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| 227 | gf[14][BAS_C]=1; gf[14][BAS_G]=1; gf[14][BAS_T]=1; |
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| 228 | gf[15][BAS_A]=1; gf[15][BAS_C]=1; |
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| 229 | gf[15][BAS_G]=1; gf[15][BAS_T]=1; |
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| 230 | return (16); |
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| 231 | } |
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| 232 | return (5); |
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| 233 | } |
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| 234 | else |
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| 235 | { |
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| 236 | strcpy(groupnames, "-ABCDEFGHI*KLMN.PQRST.VWXYZADHIF\0"); |
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| 237 | for (int i=1; i<MAX_AMINOS; i++) { |
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| 238 | gf[i][i]=1; } |
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| 239 | if (groupallowed) |
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| 240 | #define SC(x, P) gf[x][P-'A'+1] = 1 |
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| 241 | { |
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| 242 | SC(27, 'P'); SC(27, 'A'); SC(27, 'G'); SC(27, 'S'); SC(27, 'T'); |
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| 243 | // PAGST |
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| 244 | SC(28, 'Q'); SC(28, 'N'); SC(28, 'E'); SC(28, 'D'); SC(28, 'B'); |
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| 245 | SC(28, 'Z'); // QNEDBZ |
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| 246 | SC(29, 'H'); SC(29, 'K'); SC(29, 'R'); |
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| 247 | // HKR |
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| 248 | SC(30, 'L'); SC(30, 'I'); SC(30, 'V'); SC(30, 'M'); |
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| 249 | // LIVM |
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| 250 | SC(31, 'F'); SC(31, 'Y'); SC(31, 'W'); |
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| 251 | // FYW |
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| 252 | return (32); |
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| 253 | } |
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| 254 | #undef SC |
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| 255 | return (27); |
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| 256 | } |
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| 257 | } |
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| 258 | |
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| 259 | |
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| 260 | /* ----------------------------------------------------------------- |
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| 261 | * Function: CON_makestatistic |
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| 262 | * |
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| 263 | * Arguments: int *convtable |
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| 264 | * |
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| 265 | * Returns: int **statistic |
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| 266 | * |
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| 267 | * Description: This function fills the table statistic, that is used |
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| 268 | * later by function CON_evaluatestatistic. The filling |
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| 269 | * is done depending on table convtable, that is created |
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| 270 | * in function CON_maketables. Memory for statistic is |
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| 271 | * allocated also in function CON_maketables. |
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| 272 | * |
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| 273 | * |
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| 274 | * NOTE: . |
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| 275 | * |
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| 276 | * Global Variables referenced: . |
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| 277 | * |
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| 278 | * Global Variables modified: x |
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| 279 | * |
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| 280 | * AWARs referenced: . |
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| 281 | * |
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| 282 | * AWARs modified: x |
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| 283 | * |
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| 284 | * Dependencies: . |
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| 285 | * ----------------------------------------------------------------- |
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| 286 | */ |
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| 287 | |
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| 288 | |
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| 289 | static long CON_makestatistic(int **statistic, int *convtable, char *align, int onlymarked) { |
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| 290 | long maxalignlen = GBT_get_alignment_len(GLOBAL.gb_main, align); |
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| 291 | |
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| 292 | int nrofspecies; |
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| 293 | if (onlymarked) { |
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| 294 | nrofspecies = GBT_count_marked_species(GLOBAL.gb_main); |
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| 295 | } |
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| 296 | else { |
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| 297 | nrofspecies = GBT_get_species_count(GLOBAL.gb_main); |
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| 298 | } |
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| 299 | |
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| 300 | arb_progress progress(nrofspecies); |
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| 301 | progress.auto_subtitles("Examining sequence"); |
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| 302 | |
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| 303 | GBDATA *gb_species; |
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| 304 | if (onlymarked) { |
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| 305 | gb_species = GBT_first_marked_species(GLOBAL.gb_main); |
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| 306 | } |
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| 307 | else { |
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| 308 | gb_species = GBT_first_species(GLOBAL.gb_main); |
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| 309 | } |
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| 310 | |
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| 311 | while (gb_species) { |
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| 312 | GBDATA *alidata = GBT_read_sequence(gb_species, align); |
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| 313 | if (alidata) { |
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| 314 | unsigned char c; |
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| 315 | const unsigned char *data = (const unsigned char *)GB_read_char_pntr(alidata); |
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| 316 | |
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| 317 | int i = 0; |
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| 318 | while ((c=data[i])) { |
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| 319 | if ((c=='-') || ((c>='a')&&(c<='z')) || ((c>='A')&&(c<='Z')) |
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| 320 | || (c=='*')) { |
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| 321 | if (i > maxalignlen) break; |
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| 322 | statistic[convtable[c]][i] += 1; |
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| 323 | } |
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| 324 | i++; |
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| 325 | } |
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| 326 | } |
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| 327 | if (onlymarked) { |
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| 328 | gb_species = GBT_next_marked_species(gb_species); |
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| 329 | } |
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| 330 | else { |
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| 331 | gb_species = GBT_next_species(gb_species); |
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| 332 | } |
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| 333 | ++progress; |
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| 334 | } |
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| 335 | return nrofspecies; |
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| 336 | } |
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| 337 | |
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| 338 | |
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| 339 | /* ----------------------------------------------------------------- |
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| 340 | * Function: CON_maketables |
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| 341 | * |
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| 342 | * Arguments: long maxalignlen,int isamino |
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| 343 | * |
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| 344 | * Returns: return parameters: int *convtable,int **statistic |
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| 345 | * |
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| 346 | * Description: Creates tables convtable and statistic, that are |
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| 347 | * used by function CON_makestatistic. The memory |
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| 348 | * allocated for both tables is freed in the |
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| 349 | * function CON_calculate_cb. |
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| 350 | * E.g. convtable['c']=k means that the character c |
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| 351 | * is counted in table statistic in row k. |
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| 352 | * |
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| 353 | * NOTE: . |
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| 354 | * |
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| 355 | * Global Variables referenced: . |
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| 356 | * |
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| 357 | * Global Variables modified: x |
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| 358 | * |
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| 359 | * AWARs referenced: . |
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| 360 | * |
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| 361 | * AWARs modified: x |
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| 362 | * |
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| 363 | * Dependencies: . |
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| 364 | * ----------------------------------------------------------------- |
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| 365 | */ |
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| 366 | static void CON_maketables(int *convtable, int **statistic, long maxalignlen, int isamino) |
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| 367 | { |
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| 368 | int i; |
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| 369 | for (i=0; i<256; i++) { convtable[i]=0; } |
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| 370 | if (!isamino) { |
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| 371 | for (i='a'; i <= 'z'; i++) convtable[i] = BAS_N; |
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| 372 | for (i='A'; i <= 'Z'; i++) convtable[i] = BAS_N; |
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| 373 | |
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| 374 | convtable['a']=BAS_A; convtable['A']=BAS_A; |
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| 375 | convtable['c']=BAS_C; convtable['C']=BAS_C; |
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| 376 | convtable['g']=BAS_G; convtable['G']=BAS_G; |
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| 377 | convtable['t']=BAS_T; convtable['T']=BAS_T; |
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| 378 | convtable['u']=BAS_T; convtable['U']=BAS_T; |
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| 379 | |
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| 380 | |
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| 381 | for (i=0; i<MAX_BASES; i++) { |
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| 382 | statistic[i]=(int*)GB_calloc((unsigned int)maxalignlen, sizeof(int)); |
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| 383 | } |
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| 384 | statistic[MAX_BASES]=NULL; |
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| 385 | } |
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| 386 | else { |
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| 387 | for (i=0; i<MAX_AMINOS-1; i++) |
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| 388 | { |
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| 389 | convtable['a'+i]=i+1; |
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| 390 | convtable['A'+i]=i+1; |
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| 391 | } |
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| 392 | for (i=0; i<MAX_AMINOS; i++) { |
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| 393 | statistic[i]=(int*)GB_calloc((unsigned int)maxalignlen, sizeof(int)); |
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| 394 | } |
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| 395 | statistic[MAX_AMINOS]=NULL; |
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| 396 | convtable['*']=10; // 'J' |
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| 397 | } |
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| 398 | } |
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| 399 | |
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| 400 | // export results into database |
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| 401 | static GB_ERROR CON_export(char *savename, char *align, int **statistic, char *result, int *convtable, char *groupnames, int onlymarked, long nrofspecies, long maxalignlen, int countgaps, int gapbound, int groupallowed, double fconsidbound, double fupper, int lower, int resultiscomplex) { |
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| 402 | const char *off = "off"; |
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| 403 | const char *on = "on"; |
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| 404 | |
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| 405 | char *buffer = (char *)GB_calloc(2000, sizeof(char)); |
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| 406 | |
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| 407 | GBDATA *gb_extended = GBT_find_or_create_SAI(GLOBAL.gb_main, savename); |
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| 408 | GBDATA *gb_data = GBT_add_data(gb_extended, align, "data", GB_STRING); |
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| 409 | GB_ERROR err = GB_write_string(gb_data, result); // @@@ result is ignored |
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| 410 | GBDATA *gb_options = GBT_add_data(gb_extended, align, "_TYPE", GB_STRING); |
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| 411 | |
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| 412 | const char *allvsmarked = onlymarked ? "marked" : "all"; |
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| 413 | const char *countgapsstring = countgaps ? on : off; |
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| 414 | const char *simplifystring = groupallowed ? on : off; |
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| 415 | |
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| 416 | sprintf(buffer, "CON: [species: %s] [number: %ld] [count gaps: %s] " |
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| 417 | "[threshold for gaps: %d] [simplify: %s] " |
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| 418 | "[threshold for character: %f] [upper: %f] [lower: %d]", |
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| 419 | allvsmarked, nrofspecies, countgapsstring, |
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| 420 | gapbound, simplifystring, |
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| 421 | fconsidbound, fupper, lower); |
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| 422 | |
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| 423 | err = GB_write_string(gb_options, buffer); |
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| 424 | |
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| 425 | GBDATA *gb_names = GB_search(GB_get_father(gb_options), "_SPECIES", GB_FIND); |
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| 426 | if (gb_names) GB_delete(gb_names); // delete old entry |
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| 427 | |
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| 428 | if (nrofspecies<20) { |
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| 429 | GBDATA *gb_species; |
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| 430 | GBS_strstruct *strstruct = GBS_stropen(1000); |
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| 431 | |
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| 432 | if (onlymarked) gb_species = GBT_first_marked_species(GLOBAL.gb_main); |
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| 433 | else gb_species = GBT_first_species(GLOBAL.gb_main); |
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| 434 | |
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| 435 | while (gb_species) { |
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| 436 | if (GBT_read_sequence(gb_species, align)) { |
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| 437 | GBDATA *gb_speciesname = GB_search(gb_species, "name", GB_FIND); |
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| 438 | const char *name = GB_read_char_pntr(gb_speciesname); |
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| 439 | |
|---|
| 440 | GBS_strcat(strstruct, name); |
|---|
| 441 | GBS_chrcat(strstruct, ' '); |
|---|
| 442 | } |
|---|
| 443 | if (onlymarked) gb_species = GBT_next_marked_species(gb_species); |
|---|
| 444 | else gb_species = GBT_next_species(gb_species); |
|---|
| 445 | } |
|---|
| 446 | |
|---|
| 447 | char *allnames = GBS_strclose(strstruct); |
|---|
| 448 | err = GBT_write_string(GB_get_father(gb_options), "_SPECIES", allnames); |
|---|
| 449 | free(allnames); |
|---|
| 450 | } |
|---|
| 451 | |
|---|
| 452 | { |
|---|
| 453 | char buffer2[256]; |
|---|
| 454 | sprintf(buffer2, "%s/FREQUENCIES", align); |
|---|
| 455 | GBDATA *gb_graph = GB_search(gb_extended, buffer2, GB_FIND); |
|---|
| 456 | if (gb_graph) GB_delete(gb_graph); // delete old entry |
|---|
| 457 | } |
|---|
| 458 | // export additional information |
|---|
| 459 | if (resultiscomplex) { |
|---|
| 460 | GBDATA *gb_graph = GBT_add_data(gb_extended, align, "FREQUENCIES", GB_DB); |
|---|
| 461 | char *charname = (char *)GB_calloc(5, sizeof(char)); |
|---|
| 462 | |
|---|
| 463 | // problem : aminos, especially '*' -> new order |
|---|
| 464 | |
|---|
| 465 | int *allreadycounted = (int*)GB_calloc((unsigned int)256, sizeof(char)); |
|---|
| 466 | int *neworder = (int*)GB_calloc((unsigned int)256, sizeof(int)); |
|---|
| 467 | int numdiffchars = 1; // first additional row (nr. 0) is max-row |
|---|
| 468 | |
|---|
| 469 | for (int c=0; c<256; c++) { |
|---|
| 470 | int k = convtable[c]; |
|---|
| 471 | if (k) { |
|---|
| 472 | if (!(allreadycounted[k])) { |
|---|
| 473 | allreadycounted[k] = 1; |
|---|
| 474 | neworder[numdiffchars++] = k; |
|---|
| 475 | } |
|---|
| 476 | } |
|---|
| 477 | } |
|---|
| 478 | |
|---|
| 479 | float **additional = (float**)GB_calloc((unsigned int)numdiffchars, sizeof(float*)); |
|---|
| 480 | |
|---|
| 481 | for (int group=0; group<numdiffchars; group++) { |
|---|
| 482 | additional[group]=(float*)GB_calloc((unsigned int)maxalignlen, sizeof(float)); |
|---|
| 483 | } |
|---|
| 484 | |
|---|
| 485 | int *absolutrow = (int*)GB_calloc((unsigned int)maxalignlen, sizeof(int)); |
|---|
| 486 | |
|---|
| 487 | for (long col=0; col<maxalignlen; col++) { |
|---|
| 488 | int group2 = 1; |
|---|
| 489 | int colsum = 0; |
|---|
| 490 | while (neworder[group2]) { |
|---|
| 491 | colsum += statistic[neworder[group2++]][col]; |
|---|
| 492 | } |
|---|
| 493 | if (countgaps) colsum += statistic[0][col]; |
|---|
| 494 | absolutrow[col] = colsum; |
|---|
| 495 | } |
|---|
| 496 | |
|---|
| 497 | for (long col=0; col<maxalignlen; col++) { |
|---|
| 498 | if (absolutrow[col]) { |
|---|
| 499 | int group2 = 1; |
|---|
| 500 | float highest = 0; |
|---|
| 501 | int diffchar; |
|---|
| 502 | |
|---|
| 503 | while ((diffchar=neworder[group2++])) { |
|---|
| 504 | float relative = (float)statistic[diffchar][col] / (float)absolutrow[col]; |
|---|
| 505 | if (relative>highest) highest = relative; |
|---|
| 506 | additional[diffchar][col] = relative; |
|---|
| 507 | } |
|---|
| 508 | additional[0][col]=highest; |
|---|
| 509 | } |
|---|
| 510 | else { |
|---|
| 511 | additional[0][col]=0.0; |
|---|
| 512 | } |
|---|
| 513 | } |
|---|
| 514 | |
|---|
| 515 | GBDATA *gb_relative = GB_search(gb_graph, "MAX", GB_FLOATS); |
|---|
| 516 | err = GB_write_floats(gb_relative, additional[0], maxalignlen); |
|---|
| 517 | |
|---|
| 518 | for (int group=1; group<numdiffchars; group++) { |
|---|
| 519 | char ch = groupnames[neworder[group]]; |
|---|
| 520 | if (ch <'A' || ch>'Z') continue; |
|---|
| 521 | |
|---|
| 522 | sprintf(charname, "N%c", ch); |
|---|
| 523 | gb_relative = GB_search(gb_graph, charname, GB_FLOATS); |
|---|
| 524 | err = GB_write_floats(gb_relative, additional[group], maxalignlen); |
|---|
| 525 | } |
|---|
| 526 | |
|---|
| 527 | free(charname); |
|---|
| 528 | free(neworder); |
|---|
| 529 | free(allreadycounted); |
|---|
| 530 | |
|---|
| 531 | for (int group=0; group<numdiffchars; group++) free(additional[group]); |
|---|
| 532 | free(additional); |
|---|
| 533 | } |
|---|
| 534 | free(buffer); |
|---|
| 535 | return err; |
|---|
| 536 | } |
|---|
| 537 | |
|---|
| 538 | |
|---|
| 539 | static void CON_cleartables(int **statistic, int isamino) { |
|---|
| 540 | int i; |
|---|
| 541 | int no_of_tables = isamino ? MAX_AMINOS : MAX_BASES; |
|---|
| 542 | |
|---|
| 543 | for (i = 0; i<no_of_tables; ++i) { |
|---|
| 544 | free(statistic[i]); |
|---|
| 545 | } |
|---|
| 546 | } |
|---|
| 547 | |
|---|
| 548 | /* ----------------------------------------------------------------- |
|---|
| 549 | * Function: void CON_calculate_cb(AW_window *aw ) |
|---|
| 550 | * |
|---|
| 551 | * Arguments: . |
|---|
| 552 | * |
|---|
| 553 | * Returns: . |
|---|
| 554 | * |
|---|
| 555 | * Description: main callback |
|---|
| 556 | * This function calculates the consensus. |
|---|
| 557 | * Function CON_makestatistic creates the |
|---|
| 558 | * statistic and function CON_evaluatestatistic |
|---|
| 559 | * evaluates the statistic. Then the result |
|---|
| 560 | * string(s) are written to the extended data of |
|---|
| 561 | * the alignment. |
|---|
| 562 | * NOTE: . |
|---|
| 563 | * |
|---|
| 564 | * Global Variables referenced: . |
|---|
| 565 | * |
|---|
| 566 | * Global Variables modified: x |
|---|
| 567 | * |
|---|
| 568 | * AWARs referenced: |
|---|
| 569 | * AW_STRING, "tmp/con/alignment" : name of alignment |
|---|
| 570 | * AW_STRING, "tmp/con/which_species" : only marked species ? |
|---|
| 571 | * AW_STRING, "con/group" : allow grouping ? |
|---|
| 572 | * AW_STRING, "con/countgaps" |
|---|
| 573 | * AW_DOUBLE, "con/fupper" |
|---|
| 574 | * AW_INT, "con/lower" |
|---|
| 575 | * AW_INT, "con/gapbound" : result is '-' if more than |
|---|
| 576 | * 'gapbound' per cent gaps |
|---|
| 577 | * AW_DOUBLE, "con/fconsidbound" : if frequency of character is |
|---|
| 578 | * more than 'considbound' per cent, this |
|---|
| 579 | * character can contribute to groups |
|---|
| 580 | * AW_STRING, "tmp/intcon/name" : save with this name |
|---|
| 581 | * AW_STRING, "con/result" : result has one or more lines ? |
|---|
| 582 | * |
|---|
| 583 | * AWARs modified: x |
|---|
| 584 | * |
|---|
| 585 | * Dependencies: CON_maketables |
|---|
| 586 | * CON_makestatistic |
|---|
| 587 | * CON_makegrouptable |
|---|
| 588 | * CON_evaluatestatistic |
|---|
| 589 | * ----------------------------------------------------------------- |
|---|
| 590 | */ |
|---|
| 591 | static void CON_calculate_cb(AW_window *aw) |
|---|
| 592 | { |
|---|
| 593 | AW_root *awr = aw->get_root(); |
|---|
| 594 | char *align = awr->awar("tmp/con/alignment")->read_string(); |
|---|
| 595 | GB_ERROR error = 0; |
|---|
| 596 | |
|---|
| 597 | GB_push_transaction(GLOBAL.gb_main); |
|---|
| 598 | |
|---|
| 599 | long maxalignlen = GBT_get_alignment_len(GLOBAL.gb_main, align); |
|---|
| 600 | if (maxalignlen <= 0) error = GB_export_errorf("alignment '%s' doesn't exist", align); |
|---|
| 601 | |
|---|
| 602 | if (!error) { |
|---|
| 603 | int isamino = GBT_is_alignment_protein(GLOBAL.gb_main, align); |
|---|
| 604 | int onlymarked = 1; |
|---|
| 605 | int resultiscomplex = 1; |
|---|
| 606 | |
|---|
| 607 | { |
|---|
| 608 | char *marked = awr->awar("tmp/con/which_species")->read_string(); |
|---|
| 609 | char *complexresult = awr->awar("con/result")->read_string(); |
|---|
| 610 | |
|---|
| 611 | if (strcmp("marked", marked) != 0) onlymarked = 0; |
|---|
| 612 | if (strcmp("complex", complexresult) != 0) resultiscomplex = 0; |
|---|
| 613 | |
|---|
| 614 | free(complexresult); |
|---|
| 615 | free(marked); |
|---|
| 616 | } |
|---|
| 617 | |
|---|
| 618 | |
|---|
| 619 | // creating the table for characters and allocating memory for 'statistic' |
|---|
| 620 | int *statistic[MAX_AMINOS+1]; |
|---|
| 621 | int convtable[256]; |
|---|
| 622 | CON_maketables(convtable, statistic, maxalignlen, isamino); |
|---|
| 623 | |
|---|
| 624 | // filling the statistic table |
|---|
| 625 | arb_progress progress("Calculating consensus"); |
|---|
| 626 | |
|---|
| 627 | long nrofspecies = CON_makestatistic(statistic, convtable, align, onlymarked); |
|---|
| 628 | double fupper = awr->awar("con/fupper")->read_float(); |
|---|
| 629 | int lower = (int)awr->awar("con/lower")->read_int(); |
|---|
| 630 | |
|---|
| 631 | if (fupper>100.0) fupper = 100; |
|---|
| 632 | if (fupper<0) fupper = 0; |
|---|
| 633 | if (lower<0) lower = 0; |
|---|
| 634 | |
|---|
| 635 | if (lower>fupper) { |
|---|
| 636 | error = "fault: lower greater than upper"; |
|---|
| 637 | } |
|---|
| 638 | else { |
|---|
| 639 | |
|---|
| 640 | double fconsidbound = awr->awar("con/fconsidbound")->read_float(); |
|---|
| 641 | if (fconsidbound>100) fconsidbound = 100; |
|---|
| 642 | if (fconsidbound<0) fconsidbound = 0; |
|---|
| 643 | |
|---|
| 644 | int gapbound = (int)awr->awar("con/gapbound")->read_int(); |
|---|
| 645 | if (gapbound<0) gapbound = 0; |
|---|
| 646 | if (gapbound>100) gapbound = 100; |
|---|
| 647 | |
|---|
| 648 | int groupallowed, countgap; |
|---|
| 649 | { |
|---|
| 650 | char *group = awr->awar("con/group")->read_string(); |
|---|
| 651 | char *countgaps = awr->awar("con/countgaps")->read_string(); |
|---|
| 652 | |
|---|
| 653 | groupallowed = strcmp("on", group) == 0; |
|---|
| 654 | countgap = strcmp("on", countgaps) == 0; |
|---|
| 655 | |
|---|
| 656 | free(countgaps); |
|---|
| 657 | free(group); |
|---|
| 658 | } |
|---|
| 659 | |
|---|
| 660 | // creating the table for groups |
|---|
| 661 | char *groupflags[40]; |
|---|
| 662 | char groupnames[40]; |
|---|
| 663 | int numgroups = CON_makegrouptable(groupflags, groupnames, isamino, groupallowed); |
|---|
| 664 | |
|---|
| 665 | // calculate and export the result strings |
|---|
| 666 | char *result = 0; |
|---|
| 667 | CON_evaluatestatistic(result, statistic, groupflags, groupnames, (int)maxalignlen, fupper, lower, fconsidbound, gapbound, countgap, numgroups); |
|---|
| 668 | |
|---|
| 669 | char *savename = awr->awar("tmp/con/name")->read_string(); |
|---|
| 670 | |
|---|
| 671 | error = CON_export(savename, align, statistic, result, convtable, groupnames, |
|---|
| 672 | onlymarked, nrofspecies, maxalignlen, countgap, gapbound, groupallowed, |
|---|
| 673 | fconsidbound, fupper, lower, resultiscomplex); |
|---|
| 674 | |
|---|
| 675 | // freeing allocated memory |
|---|
| 676 | free(savename); |
|---|
| 677 | free(result); |
|---|
| 678 | for (int i=0; i<MAX_GROUPS; i++) free(groupflags[i]); |
|---|
| 679 | } |
|---|
| 680 | |
|---|
| 681 | CON_cleartables(statistic, isamino); |
|---|
| 682 | } |
|---|
| 683 | |
|---|
| 684 | free(align); |
|---|
| 685 | GB_end_transaction_show_error(GLOBAL.gb_main, error, aw_message); |
|---|
| 686 | } |
|---|
| 687 | |
|---|
| 688 | void AP_create_consensus_var(AW_root *aw_root, AW_default aw_def) |
|---|
| 689 | { |
|---|
| 690 | GB_transaction ta(GLOBAL.gb_main); |
|---|
| 691 | { |
|---|
| 692 | char *defali = GBT_get_default_alignment(GLOBAL.gb_main); |
|---|
| 693 | aw_root->awar_string("tmp/con/alignment", defali, aw_def); |
|---|
| 694 | free(defali); |
|---|
| 695 | } |
|---|
| 696 | aw_root->awar_string("tmp/con/which_species", "marked", aw_def); |
|---|
| 697 | aw_root->awar_string("con/group", "off", aw_def); |
|---|
| 698 | aw_root->awar_string("con/countgaps", "on", aw_def); |
|---|
| 699 | aw_root->awar_float("con/fupper", 95, aw_def); |
|---|
| 700 | aw_root->awar_int("con/lower", 70, aw_def); |
|---|
| 701 | aw_root->awar_int("con/gapbound", 60, aw_def); |
|---|
| 702 | aw_root->awar_float("con/fconsidbound", 30, aw_def); |
|---|
| 703 | aw_root->awar_string("tmp/con/name", "CONSENSUS", aw_def); |
|---|
| 704 | aw_root->awar_string("con/result", "single line", aw_def); |
|---|
| 705 | |
|---|
| 706 | aw_root->awar_string(AWAR_MAX_FREQ_SAI_NAME, "MAX_FREQUENCY", aw_def); |
|---|
| 707 | aw_root->awar_int(AWAR_MAX_FREQ_NO_GAPS, 1, aw_def); |
|---|
| 708 | |
|---|
| 709 | } |
|---|
| 710 | |
|---|
| 711 | // Open window to show IUPAC tables |
|---|
| 712 | static AW_window * CON_showgroupswin_cb(AW_root *aw_root) |
|---|
| 713 | { |
|---|
| 714 | AW_window_simple *aws = new AW_window_simple; |
|---|
| 715 | aws->init(aw_root, "SHOW_IUPAC", "Show IUPAC"); |
|---|
| 716 | aws->load_xfig("consensus/groups.fig"); |
|---|
| 717 | aws->button_length(7); |
|---|
| 718 | |
|---|
| 719 | aws->at("ok"); aws->callback((AW_CB0)AW_POPDOWN); |
|---|
| 720 | aws->create_button("CLOSE", "CLOSE", "O"); |
|---|
| 721 | |
|---|
| 722 | return (AW_window *)aws; |
|---|
| 723 | } |
|---|
| 724 | |
|---|
| 725 | AW_window *AP_create_con_expert_window(AW_root *aw_root) { |
|---|
| 726 | AW_window_simple *aws = new AW_window_simple; |
|---|
| 727 | aws->init(aw_root, "BUILD_CONSENSUS", "CONSENSUS OF SEQUENCES"); |
|---|
| 728 | aws->load_xfig("consensus/expert.fig"); |
|---|
| 729 | aws->button_length(6); |
|---|
| 730 | |
|---|
| 731 | aws->at("cancel"); aws->callback((AW_CB0)AW_POPDOWN); |
|---|
| 732 | aws->create_button("CLOSE", "CLOSE", "C"); |
|---|
| 733 | |
|---|
| 734 | aws->at("help"); aws->callback(makeHelpCallback("consensus.hlp")); |
|---|
| 735 | aws->create_button("HELP", "HELP", "H"); |
|---|
| 736 | |
|---|
| 737 | aws->button_length(10); |
|---|
| 738 | aws->at("showgroups"); aws->callback(AW_POPUP, (AW_CL)CON_showgroupswin_cb, 0); |
|---|
| 739 | aws->create_button("SHOW_IUPAC", "show\nIUPAC...", "s"); |
|---|
| 740 | aws->button_length(10); |
|---|
| 741 | |
|---|
| 742 | aws->at("which_species"); |
|---|
| 743 | aws->create_toggle_field("tmp/con/which_species", NULL, ""); |
|---|
| 744 | aws->insert_toggle("all", "1", "all"); |
|---|
| 745 | aws->insert_default_toggle("marked", "1", "marked"); |
|---|
| 746 | aws->update_toggle_field(); |
|---|
| 747 | |
|---|
| 748 | aws->at("which_alignment"); |
|---|
| 749 | awt_create_selection_list_on_alignments(GLOBAL.gb_main, (AW_window *)aws, "tmp/con/alignment", "*="); |
|---|
| 750 | |
|---|
| 751 | aws->button_length(15); |
|---|
| 752 | |
|---|
| 753 | // activation of consensus calculation by button ... |
|---|
| 754 | aws->at("calculate"); aws->callback((AW_CB0)CON_calculate_cb); |
|---|
| 755 | aws->create_button("GO", "GO", "G"); |
|---|
| 756 | |
|---|
| 757 | aws->at("group"); |
|---|
| 758 | aws->create_toggle_field("con/group", NULL, ""); |
|---|
| 759 | aws->insert_toggle("on", "1", "on"); |
|---|
| 760 | aws->insert_default_toggle("off", "1", "off"); |
|---|
| 761 | aws->update_toggle_field(); |
|---|
| 762 | |
|---|
| 763 | aws->at("countgaps"); |
|---|
| 764 | aws->create_toggle_field("con/countgaps", NULL, ""); |
|---|
| 765 | aws->insert_toggle("on", "1", "on"); |
|---|
| 766 | aws->insert_default_toggle("off", "1", "off"); |
|---|
| 767 | aws->update_toggle_field(); |
|---|
| 768 | |
|---|
| 769 | aws->at("upper"); |
|---|
| 770 | aws->create_input_field("con/fupper", 4); |
|---|
| 771 | |
|---|
| 772 | aws->at("lower"); |
|---|
| 773 | aws->create_input_field("con/lower", 4); |
|---|
| 774 | |
|---|
| 775 | aws->at("considbound"); |
|---|
| 776 | aws->create_input_field("con/fconsidbound", 4); |
|---|
| 777 | |
|---|
| 778 | aws->at("gapbound"); |
|---|
| 779 | aws->create_input_field("con/gapbound", 4); |
|---|
| 780 | |
|---|
| 781 | aws->at("name"); |
|---|
| 782 | aws->create_input_field("tmp/con/name", 10); |
|---|
| 783 | |
|---|
| 784 | aws->at("result"); |
|---|
| 785 | aws->create_toggle_field("con/result", NULL, ""); |
|---|
| 786 | aws->insert_toggle("single line", "1", "single line"); |
|---|
| 787 | aws->insert_default_toggle("complex", "1", "complex"); |
|---|
| 788 | aws->update_toggle_field(); |
|---|
| 789 | |
|---|
| 790 | aws->at("save_box"); |
|---|
| 791 | awt_create_selection_list_on_sai(GLOBAL.gb_main, aws, "tmp/con/name", false); |
|---|
| 792 | |
|---|
| 793 | return aws; |
|---|
| 794 | } |
|---|
| 795 | |
|---|
| 796 | /* ----------------------------------------------------------------- |
|---|
| 797 | * Function: CON_calc_max_freq_cb( AW_window *aw) |
|---|
| 798 | * |
|---|
| 799 | * Description: Gets the maximum frequency for each columns. |
|---|
| 800 | * |
|---|
| 801 | * NOTE: |
|---|
| 802 | * |
|---|
| 803 | * ----------------------------------------------------------------- |
|---|
| 804 | */ |
|---|
| 805 | |
|---|
| 806 | static void CON_calc_max_freq_cb(AW_window *aw) { |
|---|
| 807 | arb_assert(!GB_have_error()); |
|---|
| 808 | |
|---|
| 809 | AW_root *awr = aw->get_root(); |
|---|
| 810 | GB_ERROR error = NULL; |
|---|
| 811 | |
|---|
| 812 | GB_transaction ta(GLOBAL.gb_main); |
|---|
| 813 | |
|---|
| 814 | char *align = GBT_get_default_alignment(GLOBAL.gb_main); |
|---|
| 815 | long maxalignlen = GBT_get_alignment_len(GLOBAL.gb_main, align); |
|---|
| 816 | |
|---|
| 817 | if (maxalignlen<=0) { |
|---|
| 818 | GB_clear_error(); |
|---|
| 819 | error = "alignment doesn't exist!"; |
|---|
| 820 | } |
|---|
| 821 | else { |
|---|
| 822 | int isamino = GBT_is_alignment_protein(GLOBAL.gb_main, align); |
|---|
| 823 | |
|---|
| 824 | arb_progress progress("Calculating max. frequency"); |
|---|
| 825 | |
|---|
| 826 | int *statistic[MAX_AMINOS+1]; |
|---|
| 827 | int convtable[256]; |
|---|
| 828 | CON_maketables(convtable, statistic, maxalignlen, isamino); |
|---|
| 829 | |
|---|
| 830 | const int onlymarked = 1; |
|---|
| 831 | long nrofspecies = CON_makestatistic(statistic, convtable, align, onlymarked); |
|---|
| 832 | |
|---|
| 833 | int end = isamino ? MAX_AMINOS : MAX_BASES; |
|---|
| 834 | |
|---|
| 835 | char *result1 = new char[maxalignlen+1]; |
|---|
| 836 | char *result2 = new char[maxalignlen+1]; |
|---|
| 837 | |
|---|
| 838 | result1[maxalignlen] = 0; |
|---|
| 839 | result2[maxalignlen] = 0; |
|---|
| 840 | |
|---|
| 841 | long no_gaps = awr->awar(AWAR_MAX_FREQ_NO_GAPS)->read_int(); |
|---|
| 842 | |
|---|
| 843 | for (int pos = 0; pos < maxalignlen; pos++) { |
|---|
| 844 | int sum = 0; |
|---|
| 845 | int max = 0; |
|---|
| 846 | |
|---|
| 847 | for (int i=0; i<end; i++) { |
|---|
| 848 | if (no_gaps && (i == convtable[(unsigned char)'-'])) continue; |
|---|
| 849 | sum += statistic[i][pos]; |
|---|
| 850 | if (statistic[i][pos] > max) max = statistic[i][pos]; |
|---|
| 851 | } |
|---|
| 852 | if (sum == 0) { |
|---|
| 853 | result1[pos] = '='; |
|---|
| 854 | result2[pos] = '='; |
|---|
| 855 | } |
|---|
| 856 | else { |
|---|
| 857 | result1[pos] = "01234567890"[(( 10*max)/sum)%11]; // @@@ why %11? |
|---|
| 858 | result2[pos] = "01234567890"[((100*max)/sum)%10]; |
|---|
| 859 | } |
|---|
| 860 | } |
|---|
| 861 | |
|---|
| 862 | const char *savename = awr->awar(AWAR_MAX_FREQ_SAI_NAME)->read_char_pntr(); |
|---|
| 863 | GBDATA *gb_extended = GBT_find_or_create_SAI(GLOBAL.gb_main, savename); |
|---|
| 864 | if (!gb_extended) { |
|---|
| 865 | error = GB_await_error(); |
|---|
| 866 | } |
|---|
| 867 | else { |
|---|
| 868 | GBDATA *gb_data1 = GBT_add_data(gb_extended, align, "data", GB_STRING); |
|---|
| 869 | GBDATA *gb_data2 = GBT_add_data(gb_extended, align, "dat2", GB_STRING); |
|---|
| 870 | |
|---|
| 871 | error = GB_write_string(gb_data1, result1); |
|---|
| 872 | if (!error) error = GB_write_string(gb_data2, result2); |
|---|
| 873 | |
|---|
| 874 | GBDATA *gb_options = GBT_add_data(gb_extended, align, "_TYPE", GB_STRING); |
|---|
| 875 | |
|---|
| 876 | if (!error) { |
|---|
| 877 | const char *type = GBS_global_string("MFQ: [species: %li] [exclude gaps: %li]", nrofspecies, no_gaps); |
|---|
| 878 | error = GB_write_string(gb_options, type); |
|---|
| 879 | } |
|---|
| 880 | } |
|---|
| 881 | |
|---|
| 882 | delete [] result1; |
|---|
| 883 | delete [] result2; |
|---|
| 884 | CON_cleartables(statistic, isamino); |
|---|
| 885 | } |
|---|
| 886 | |
|---|
| 887 | error = ta.close(error); |
|---|
| 888 | if (error) aw_message(error); |
|---|
| 889 | |
|---|
| 890 | free(align); |
|---|
| 891 | |
|---|
| 892 | arb_assert(!GB_have_error()); |
|---|
| 893 | } |
|---|
| 894 | |
|---|
| 895 | AW_window *AP_create_max_freq_window(AW_root *aw_root) { |
|---|
| 896 | AW_window_simple *aws = new AW_window_simple; |
|---|
| 897 | aws->init(aw_root, "MAX_FREQUENCY", "MAX FREQUENCY"); |
|---|
| 898 | aws->load_xfig("consensus/max_freq.fig"); |
|---|
| 899 | |
|---|
| 900 | GB_push_transaction(GLOBAL.gb_main); |
|---|
| 901 | |
|---|
| 902 | aws->button_length(6); |
|---|
| 903 | |
|---|
| 904 | aws->at("cancel"); aws->callback((AW_CB0)AW_POPDOWN); |
|---|
| 905 | aws->create_button("CLOSE", "CLOSE", "C"); |
|---|
| 906 | |
|---|
| 907 | aws->at("help"); aws->callback(makeHelpCallback("max_freq.hlp")); |
|---|
| 908 | aws->create_button("HELP", "HELP", "H"); |
|---|
| 909 | |
|---|
| 910 | // activation of consensus calculation by button ... |
|---|
| 911 | aws->at("go"); aws->callback((AW_CB0)CON_calc_max_freq_cb); |
|---|
| 912 | aws->create_button("GO", "GO", "C"); |
|---|
| 913 | |
|---|
| 914 | aws->at("save"); |
|---|
| 915 | aws->create_input_field(AWAR_MAX_FREQ_SAI_NAME, 1); |
|---|
| 916 | |
|---|
| 917 | aws->at("sai"); |
|---|
| 918 | awt_create_selection_list_on_sai(GLOBAL.gb_main, aws, AWAR_MAX_FREQ_SAI_NAME, false); |
|---|
| 919 | |
|---|
| 920 | aws->at("gaps"); |
|---|
| 921 | aws->create_toggle(AWAR_MAX_FREQ_NO_GAPS); |
|---|
| 922 | |
|---|
| 923 | GB_pop_transaction(GLOBAL.gb_main); |
|---|
| 924 | |
|---|
| 925 | return (AW_window *)aws; |
|---|
| 926 | } |
|---|
| 927 | |
|---|