1 | /********************************************************************************* |
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2 | * Coded by Ralf Westram (coder@reallysoft.de) in 1998 * |
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3 | * Institute of Microbiology (Technical University Munich) * |
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4 | * http://www.mikro.biologie.tu-muenchen.de/ * |
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5 | *********************************************************************************/ |
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6 | |
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7 | #include <stdio.h> |
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8 | #include <stdlib.h> |
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9 | #include <memory.h> |
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10 | #include <ctype.h> |
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11 | #include <string.h> |
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12 | // #include <sys/time.h> |
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13 | #include <time.h> // SuSE 7.3 |
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14 | |
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15 | #include <arbdb.h> |
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16 | #include <arbdbt.h> |
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17 | #include <aw_root.hxx> |
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18 | #include <aw_window.hxx> |
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19 | |
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20 | // #include "awtc_fast_aligner.hxx" |
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21 | #include "awtc_seq_search.hxx" |
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22 | #include "awtc_constructSequence.hxx" |
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23 | |
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24 | #define SAME_SEQUENCE (-1),(-1) |
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25 | |
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26 | static inline int min(int i1, int i2) {return i1<i2 ? i1 : i2;} |
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27 | |
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28 | static inline int basesMatch(char c1, char c2) |
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29 | { |
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30 | return toupper(c1)==toupper(c2); |
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31 | } |
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32 | static inline int inversBasesMatch(char c1, char c2) |
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33 | { |
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34 | c1 = toupper(c1); |
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35 | c2 = toupper(c2); |
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36 | |
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37 | switch (c1) { |
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38 | case 'A': return c2=='T' || c2=='U'; |
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39 | case 'C': return c2=='G'; |
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40 | case 'G': return c2=='C'; |
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41 | case 'T': |
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42 | case 'U': return c2=='A'; |
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43 | case 'N': return 1; |
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44 | default: awtc_assert(0); |
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45 | } |
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46 | |
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47 | return c1==c2; |
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48 | } |
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49 | |
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50 | static inline char *strndup(const char *seq, int length) { |
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51 | char *neu = new char[length+1]; |
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52 | |
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53 | memcpy(neu, seq, length); |
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54 | neu[length] = 0; |
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55 | |
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56 | return neu; |
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57 | } |
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58 | static inline const char *lstr(const char *s, int len) { |
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59 | static char *lstr_ss = 0; |
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60 | |
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61 | freeset(lstr_ss, strndup(s,len)); |
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62 | return lstr_ss; |
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63 | } |
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64 | #ifdef DEBUG |
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65 | static inline void dumpPart(int num, const AWTC_CompactedSubSequence *comp) |
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66 | { |
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67 | printf("[%02i] ",num); |
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68 | |
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69 | #define SHOWLEN 40 |
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70 | |
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71 | const char *text = comp->text(); |
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72 | int len = comp->length(); |
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73 | |
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74 | awtc_assert(len); |
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75 | |
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76 | if (len<=SHOWLEN) |
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77 | { |
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78 | printf("'%s'\n", lstr(text,len)); |
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79 | } |
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80 | else |
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81 | { |
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82 | printf("'%s...", lstr(text, SHOWLEN)); |
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83 | printf("%s'\n", lstr(text+len-SHOWLEN, SHOWLEN)); |
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84 | } |
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85 | } |
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86 | #else |
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87 | static inline void dumpPart(int, const AWTC_CompactedSubSequence *) {} |
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88 | #endif |
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89 | |
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90 | |
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91 | #ifdef DEBUG |
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92 | # define TEST_UNIQUE_SET |
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93 | #endif |
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94 | #define UNIQUE_VALUE (-123) |
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95 | |
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96 | // --------- |
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97 | // class Way |
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98 | // --------- |
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99 | |
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100 | class Way |
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101 | { |
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102 | int *my_way; // 1..n for normal parts -1..-n for reverse parts |
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103 | int my_length; |
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104 | int my_score; |
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105 | int my_maxlength; |
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106 | |
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107 | public: |
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108 | |
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109 | Way(int maxlength) : my_length(0), my_score(0), my_maxlength(maxlength) {my_way = new int[maxlength];} |
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110 | ~Way() {delete [] my_way;} |
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111 | |
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112 | Way(const Way& w) |
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113 | { |
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114 | my_maxlength = w.my_maxlength; |
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115 | my_length = w.my_length; |
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116 | my_score = w.my_score; |
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117 | |
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118 | my_way = new int[my_maxlength]; |
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119 | |
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120 | memcpy(my_way, w.my_way, sizeof(my_way[0])*my_length); |
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121 | } |
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122 | |
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123 | Way& operator=(const Way& w) |
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124 | { |
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125 | if (&w!=this) |
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126 | { |
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127 | if (my_maxlength<w.my_maxlength) |
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128 | { |
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129 | delete [] my_way; |
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130 | my_way = new int[w.my_maxlength]; |
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131 | } |
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132 | |
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133 | my_maxlength = w.my_maxlength; |
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134 | my_length = w.my_length; |
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135 | my_score = w.my_score; |
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136 | |
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137 | memcpy(my_way, w.my_way, sizeof(my_way[0])*my_length); |
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138 | } |
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139 | |
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140 | return *this; |
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141 | } |
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142 | |
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143 | void add(int partNum, int reverse, int Score) { |
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144 | awtc_assert(my_length<my_maxlength); |
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145 | partNum++; // recode cause partNum==0 cannot be negative |
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146 | my_way[my_length++] = reverse ? -partNum : partNum; |
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147 | my_score += Score; |
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148 | } |
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149 | void shorten(int Score) { |
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150 | my_length--; |
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151 | my_score -= Score; |
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152 | } |
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153 | |
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154 | int score() const {return my_score; /*my_length ? my_score/my_length : 0;*/} |
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155 | int length() const {return my_length;} |
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156 | int way(int num, int& reverse) const {reverse = my_way[num]<0; return abs(my_way[num])-1;} |
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157 | |
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158 | void dump() const { |
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159 | int l; |
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160 | |
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161 | printf("Way my_length=%2i my_score=%5i score()=%5i:", my_length, my_score, score()); |
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162 | |
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163 | for (l=0; l<my_length; l++) { |
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164 | int reverse; |
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165 | int partNum = way(l, reverse); |
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166 | printf(" %3i%c", partNum, reverse ? 'r' : ' '); |
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167 | } |
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168 | |
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169 | printf("\n"); |
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170 | } |
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171 | }; |
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172 | |
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173 | // ------------- |
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174 | // class Overlap |
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175 | // ------------- |
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176 | |
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177 | class Overlap // matrix which stores overlap data |
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178 | { |
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179 | int parts; // no of parts |
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180 | int *ol; // how much the both sequence parts overlap |
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181 | int *sc; // which score we calculated for this overlap |
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182 | |
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183 | int offset(int f,int fReverse, int t, int tReverse) const |
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184 | { |
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185 | int off = parts*2 * (t*2 + tReverse) + (f*2 + fReverse); |
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186 | return off; |
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187 | } |
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188 | |
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189 | void findWayFrom(Way *w, Way *best, int partNum, int reverse, int *used, int minMatchingBases) const; |
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190 | |
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191 | public: |
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192 | |
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193 | Overlap(int Parts) |
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194 | { |
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195 | parts = Parts; |
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196 | int sizeq = parts*2*parts*2; |
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197 | ol = new int[sizeq]; |
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198 | sc = new int[sizeq]; |
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199 | |
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200 | #ifdef TEST_UNIQUE_SET |
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201 | int off; |
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202 | for (off=0; off<sizeq; off++) |
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203 | { |
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204 | ol[off] = UNIQUE_VALUE; |
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205 | sc[off] = UNIQUE_VALUE; |
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206 | } |
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207 | #endif |
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208 | } |
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209 | |
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210 | ~Overlap() { delete [] ol; delete [] sc; } |
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211 | |
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212 | int overlap(int f, int fReverse, int t, int tReverse) const {return ol[offset(f,fReverse,t,tReverse)];} |
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213 | int score(int f, int fReverse, int t, int tReverse) const {return sc[offset(f,fReverse,t,tReverse)];} |
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214 | |
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215 | void set(int off, int theOverlap, int theScore) |
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216 | { |
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217 | #ifdef TEST_UNIQUE_SET |
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218 | awtc_assert(ol[off]==UNIQUE_VALUE); |
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219 | awtc_assert(sc[off]==UNIQUE_VALUE); |
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220 | #endif |
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221 | ol[off] = theOverlap; |
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222 | sc[off] = theScore; |
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223 | } |
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224 | void set(int f,int fReverse, int t, int tReverse, int theOverlap, int theScore) {set(offset(f,fReverse,t,tReverse), theOverlap, theScore);} |
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225 | |
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226 | void setall(int f, int t, int theOverlap, int theScore) |
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227 | { |
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228 | int off = offset(f,0,t,0); |
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229 | |
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230 | set(off, theOverlap, theScore); |
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231 | set(off+1, theOverlap, theScore); |
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232 | set(off+parts*2, theOverlap, theScore); |
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233 | set(off+parts*2+1, theOverlap, theScore); |
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234 | } |
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235 | |
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236 | Way findWay(int minMatchingBases) const; |
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237 | void dump() const; |
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238 | }; |
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239 | |
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240 | void Overlap::findWayFrom(Way *w, Way *best, int partNum, int reverse, int *used, int minMatchingBases) const |
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241 | { |
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242 | used[partNum] = reverse ? -1 : 1; |
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243 | |
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244 | int l; |
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245 | |
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246 | for (l=0; l<parts; l++) |
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247 | { |
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248 | if (!used[l]) |
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249 | { |
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250 | int rev; |
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251 | |
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252 | for (rev=0; rev<2; rev++) |
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253 | { |
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254 | int scoreForPartialWay = score(partNum, reverse, l, rev); |
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255 | |
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256 | if (scoreForPartialWay>=minMatchingBases) |
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257 | { |
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258 | w->add(l, rev, scoreForPartialWay); |
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259 | if (w->score() > best->score()) { |
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260 | *best = *w; |
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261 | printf("new best "); |
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262 | best->dump(); |
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263 | } |
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264 | |
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265 | findWayFrom(w, best, l, rev, used, minMatchingBases); |
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266 | w->shorten(scoreForPartialWay); |
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267 | } |
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268 | } |
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269 | } |
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270 | } |
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271 | |
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272 | used[partNum] = 0; |
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273 | } |
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274 | |
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275 | Way Overlap::findWay(int minMatchingBases) const |
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276 | { |
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277 | int l; |
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278 | int *used = new int[parts]; |
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279 | Way w(parts); |
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280 | Way best(parts); |
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281 | |
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282 | for (l=0; l<parts; l++) { |
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283 | used[l] = 0; |
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284 | } |
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285 | |
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286 | for (l=0; l<parts; l++) { |
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287 | int rev; |
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288 | for (rev=0; rev<2; rev++) { |
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289 | w.add(l,rev,0); |
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290 | findWayFrom(&w, &best, l, rev, used, minMatchingBases); |
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291 | w.shorten(0); |
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292 | } |
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293 | } |
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294 | |
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295 | delete [] used; |
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296 | return best; |
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297 | } |
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298 | |
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299 | void Overlap::dump() const |
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300 | { |
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301 | #ifdef DEBUG |
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302 | printf("-------------------------------\n"); |
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303 | for (int y=-1; y<parts; y++) { |
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304 | for (int yR=0; yR<2; yR++) { |
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305 | for (int x=-1; x<parts; x++) { |
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306 | for (int xR=0; xR<2; xR++) { |
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307 | if (x==-1 || y==-1) { |
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308 | if (!xR && !yR) printf("%4i ", x==-1 ? y : x); |
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309 | else printf(" "); |
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310 | } else { |
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311 | printf("%3i|%-3i", overlap(x,xR,y,yR), score(x,xR,y,yR)); |
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312 | } |
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313 | } |
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314 | } |
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315 | printf("\n"); |
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316 | } |
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317 | } |
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318 | printf("-------------------------------\n"); |
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319 | #endif |
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320 | } |
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321 | |
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322 | // ------------------------------------------------------------------------------------------------------------------------ |
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323 | |
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324 | static inline int calcScore(int overlap, int mismatches) |
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325 | { |
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326 | return overlap-2*mismatches; |
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327 | } |
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328 | void overlappingBases(AWTC_CompactedSubSequence *comp1, int reverse1, AWTC_CompactedSubSequence *comp2, int reverse2, int& bestOverlap, int& bestScore) |
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329 | { |
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330 | int len = 1; |
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331 | int maxcmp = min(comp1->length(), comp2->length()); |
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332 | |
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333 | bestOverlap = 0; |
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334 | bestScore = 0; |
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335 | |
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336 | if (reverse1) |
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337 | { |
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338 | if (reverse2) // both are reversed -> compare reverse start of comp1 with reverse end of comp2 |
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339 | { |
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340 | const char *start1 = comp1->text(); |
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341 | const char *end2 = comp2->text(comp2->length()); |
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342 | |
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343 | while (len<=maxcmp) |
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344 | { |
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345 | int l; |
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346 | int mismatches = 0; |
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347 | |
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348 | for (l=0; l<len; l++) { |
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349 | if (!basesMatch(start1[-l], end2[-l])) { |
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350 | mismatches++; |
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351 | } |
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352 | } |
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353 | |
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354 | int score = calcScore(len, mismatches); |
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355 | if (score>=bestScore) { |
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356 | bestOverlap = len; |
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357 | bestScore = score; |
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358 | } |
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359 | |
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360 | len++; |
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361 | start1++; |
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362 | } |
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363 | } |
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364 | else // comp1 is reversed -> compare reverse start of comp1 with start of comp2 |
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365 | { |
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366 | const char *start1 = comp1->text(); |
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367 | const char *start2 = comp2->text(); |
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368 | |
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369 | while (len<=maxcmp) |
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370 | { |
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371 | int l; |
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372 | int mismatches = 0; |
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373 | |
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374 | for (l=0; l<len; l++) { |
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375 | if (!inversBasesMatch(start1[-l], start2[l])) { |
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376 | mismatches++; |
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377 | } |
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378 | } |
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379 | |
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380 | int score = calcScore(len, mismatches); |
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381 | if (score>=bestScore) { |
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382 | bestOverlap = len; |
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383 | bestScore = score; |
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384 | } |
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385 | |
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386 | len++; |
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387 | start1++; |
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388 | } |
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389 | } |
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390 | } |
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391 | else if (reverse2) // comp2 is reversed -> compare end of comp1 with reverse end of comp2 |
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392 | { |
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393 | const char *end1 = comp1->text(comp1->length()-1); |
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394 | const char *end2 = comp2->text(comp2->length()-1); |
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395 | |
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396 | while (len<=maxcmp) |
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397 | { |
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398 | int l; |
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399 | int mismatches = 0; |
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400 | |
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401 | for (l=0; l<len; l++) { |
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402 | if (!inversBasesMatch(end1[l],end2[-l])) { |
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403 | mismatches++; |
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404 | } |
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405 | } |
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406 | |
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407 | int score = calcScore(len, mismatches); |
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408 | if (score>=bestScore) { |
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409 | bestOverlap = len; |
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410 | bestScore = score; |
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411 | } |
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412 | |
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413 | len++; |
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414 | end1--; |
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415 | } |
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416 | } |
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417 | else // both normal -> compare end of comp1 whith start of comp2 |
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418 | { |
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419 | const char *end1 = comp1->text(comp1->length()-1); |
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420 | const char *start2 = comp2->text(); |
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421 | |
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422 | while (len<=maxcmp) |
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423 | { |
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424 | int l; |
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425 | int mismatches = 0; |
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426 | |
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427 | for (l=0; l<len; l++) { |
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428 | if (!basesMatch(end1[l], start2[l])) { |
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429 | mismatches++; |
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430 | } |
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431 | } |
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432 | |
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433 | int score = calcScore(len, mismatches); |
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434 | if (score>=bestScore) { |
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435 | bestOverlap = len; |
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436 | bestScore = score; |
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437 | } |
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438 | |
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439 | len++; |
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440 | end1--; |
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441 | } |
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442 | } |
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443 | } |
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444 | |
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445 | typedef AWTC_CompactedSubSequence *AWTC_CompactedSubSequencePointer; |
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446 | |
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447 | char *AWTC_constructSequence(int parts, const char **seqs, int minMatchingBases, char **refSeq) |
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448 | { |
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449 | Overlap lap(parts); |
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450 | AWTC_CompactedSubSequencePointer *comp = new AWTC_CompactedSubSequencePointer[parts]; |
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451 | |
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452 | int s; |
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453 | for (s=0; s<parts; s++) { |
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454 | comp[s] = new AWTC_CompactedSubSequence(seqs[s], strlen(seqs[s]), "contructed by AWTC_constructSequence()"); |
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455 | if (comp[s]->length()==0) { |
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456 | printf("AWTC_constructSequence called with empty sequence (seq #%i)\n", s); |
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457 | return NULL; |
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458 | } |
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459 | } |
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460 | |
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461 | for (s=0; s<parts; s++) { |
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462 | dumpPart(s,comp[s]); |
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463 | lap.setall(s,s,SAME_SEQUENCE); // set diagonal entries to SAME_SEQUENCE (= "a sequence can't overlap with itself") |
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464 | for (int s2=s+1; s2<parts; s2++) { |
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465 | awtc_assert(s!=s2); |
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466 | for (int sR=0; sR<2; sR++) { |
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467 | for (int s2R=0; s2R<2; s2R++) { |
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468 | awtc_assert(s!=s2); |
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469 | int overlap; |
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470 | int score; |
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471 | |
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472 | overlappingBases(comp[s], sR, comp[s2], s2R, overlap, score); |
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473 | |
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474 | lap.set(s, sR, s2, s2R, overlap, score); |
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475 | lap.set(s2, !s2R, s, !sR, overlap, score); |
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476 | } |
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477 | } |
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478 | } |
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479 | } |
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480 | |
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481 | lap.dump(); |
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482 | |
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483 | // find the best way through the array |
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484 | |
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485 | Way w = lap.findWay(minMatchingBases); |
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486 | w.dump(); |
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487 | |
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488 | // concatenate parts |
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489 | |
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490 | int sequenceLength = 0; |
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491 | for (s=0; s<w.length(); s++) // calculate length |
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492 | { |
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493 | int rev2; |
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494 | int part2 = w.way(s,rev2); |
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495 | |
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496 | sequenceLength += comp[part2]->length(); |
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497 | |
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498 | if (s) |
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499 | { |
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500 | int rev1; |
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501 | int part1 = w.way(s-1, rev1); |
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502 | |
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503 | sequenceLength -= lap.overlap(part1, rev1, part2, rev2); |
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504 | } |
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505 | } |
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506 | |
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507 | char *resultSeq = new char[sequenceLength+1]; |
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508 | *refSeq = new char[sequenceLength+1]; |
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509 | int off = 0; |
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510 | |
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511 | for (s=0; s<w.length(); s++) // construct sequence |
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512 | { |
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513 | int rev2; |
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514 | int part2 = w.way(s,rev2); |
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515 | |
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516 | sequenceLength += comp[part2]->length(); |
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517 | |
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518 | if (s) |
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519 | { |
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520 | int rev1; |
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521 | int part1 = w.way(s-1, rev1); |
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522 | |
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523 | sequenceLength -= lap.overlap(part1, rev1, part2, rev2); |
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524 | |
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525 | // @@@@ hier fehlt noch fast alles |
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526 | |
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527 | } |
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528 | } |
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529 | |
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530 | // frees |
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531 | |
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532 | for (s=0; s<parts; s++) { |
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533 | delete comp[s]; |
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534 | } |
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535 | delete [] comp; |
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536 | |
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537 | return NULL; |
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538 | } |
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539 | |
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540 | #ifdef DEBUG |
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541 | # define TEST_THIS_MODULE |
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542 | #endif |
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543 | |
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544 | #ifdef TEST_THIS_MODULE |
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545 | // typedef const char *cstr; |
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546 | // typedef char *str; |
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547 | |
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548 | #define PARTS 10 |
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549 | #define OVERLAPPING_BASES 100 |
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550 | |
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551 | static inline int startOf(int len, int partNum) |
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552 | { |
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553 | awtc_assert(len>0); |
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554 | awtc_assert(partNum>0); |
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555 | int s = (len/PARTS)*partNum - GB_random(OVERLAPPING_BASES); |
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556 | return s>0 ? (s<len ? s : len-1) : 0; |
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557 | } |
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558 | |
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559 | static inline int lengthOf(int start, int len) |
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560 | { |
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561 | awtc_assert(len>0); |
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562 | awtc_assert(start>=0); |
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563 | int s = len/PARTS + GB_random(2*OVERLAPPING_BASES); |
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564 | return s>0 ? ((start+s)<=len ? s : len-start) : 1; |
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565 | } |
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566 | |
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567 | char *AWTC_testConstructSequence(const char *testWithSequence) |
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568 | { |
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569 | int basesInSeq = 0; |
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570 | char *compressed = strdup(testWithSequence); |
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571 | |
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572 | { |
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573 | const char *s = testWithSequence; |
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574 | while(*s) |
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575 | { |
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576 | if (*s!='-' && *s!='.') |
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577 | { |
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578 | compressed[basesInSeq++] = *s; |
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579 | } |
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580 | s++; |
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581 | } |
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582 | } |
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583 | |
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584 | int parts = PARTS; |
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585 | char **part = new char*[PARTS]; |
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586 | int p; |
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587 | |
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588 | printf("AWTC_testConstructSequence: len(=no of bases) = %5i\n", basesInSeq); |
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589 | |
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590 | int last_end = -1; |
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591 | |
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592 | for (p=0; p<parts; p++) |
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593 | { |
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594 | int start = p==0 ? 0 : last_end - (25+GB_random(75)); |
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595 | |
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596 | if (start<0) start = 0; |
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597 | else if (start>=basesInSeq) start = basesInSeq-1; |
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598 | |
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599 | int llen = p<PARTS-1 ? GB_random(basesInSeq/parts+200) : basesInSeq-start; |
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600 | if (start+llen > basesInSeq) llen = basesInSeq-start; |
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601 | |
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602 | int end = start+llen-1; |
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603 | awtc_assert(end<basesInSeq); |
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604 | |
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605 | int overlap = last_end-start+1; |
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606 | awtc_assert(overlap>0 || p==0); |
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607 | |
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608 | int count = 0; |
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609 | int l; |
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610 | for (l=0; l<overlap; l++) |
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611 | { |
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612 | if (strchr("-.",compressed[last_end+l])==NULL) |
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613 | count++; |
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614 | } |
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615 | |
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616 | printf("[%02i] start=%-5i llen=%-5i end=%-5i overlap=%-5i basesInOverlap=%-5i", p, start, llen, end, overlap, count); |
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617 | last_end = end; |
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618 | awtc_assert(start+llen<=basesInSeq); |
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619 | part[p] = strndup(compressed+start, llen); |
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620 | if (GB_random(2)) { |
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621 | char T_or_U; |
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622 | GB_ERROR error = GBT_determine_T_or_U(GB_AT_RNA, &T_or_U, "reverse-complement"); |
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623 | if (error) aw_message(error); |
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624 | GBT_reverseComplementNucSequence(part[p], llen, T_or_U); |
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625 | printf(" (reverted)"); |
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626 | } |
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627 | printf("\n"); |
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628 | } |
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629 | |
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630 | for (p=0; p<parts; p++) |
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631 | { |
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632 | int l; |
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633 | int llen = strlen(part[p]); |
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634 | char *s = part[p]; |
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635 | |
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636 | for (l=0; l<llen; l++) |
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637 | { |
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638 | if (s[l]!='-' && s[l]!='.') |
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639 | { |
---|
640 | break; |
---|
641 | } |
---|
642 | } |
---|
643 | |
---|
644 | if (l==llen) // seq is empty |
---|
645 | { |
---|
646 | int q; |
---|
647 | |
---|
648 | for (q=p+1; q<parts; q++) |
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649 | { |
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650 | part[q-1] = part[q]; |
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651 | } |
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652 | parts--; // skip it |
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653 | p--; |
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654 | } |
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655 | |
---|
656 | part[p] = s; |
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657 | } |
---|
658 | |
---|
659 | if (parts<PARTS) printf("deleted %i empty parts\n", PARTS-parts); |
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660 | |
---|
661 | for (p=0; p<parts; p++) // insert some errors into sequences |
---|
662 | { |
---|
663 | int changes = 0; |
---|
664 | char *s = part[p]; |
---|
665 | |
---|
666 | while (*s) { |
---|
667 | if (strchr("-.", *s)==NULL) { |
---|
668 | if (GB_frandom() < 0.05 ) { // error-probability |
---|
669 | *s = "ACGT"[GB_random(4)]; |
---|
670 | changes++; |
---|
671 | } |
---|
672 | } |
---|
673 | s++; |
---|
674 | } |
---|
675 | printf("[%02i] base-errors = %i\n", p, changes); |
---|
676 | } |
---|
677 | |
---|
678 | char *neu = AWTC_constructSequence(parts, (const char**)part, 10, NULL); |
---|
679 | |
---|
680 | for (p=0; p<parts; p++) delete [] part[p]; |
---|
681 | delete [] part; |
---|
682 | |
---|
683 | if (!neu) printf("AWTC_constructSequence() returned NULL\n"); |
---|
684 | |
---|
685 | return neu; |
---|
686 | } |
---|
687 | |
---|
688 | #endif |
---|
689 | /* TEST_THIS_MODULE */ |
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690 | |
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