1 | #include <limits.h> |
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2 | #include <stdlib.h> |
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3 | #include <memory.h> |
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4 | |
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5 | #include "rns.h" |
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6 | #include "spreadin.h" |
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7 | |
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8 | |
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9 | /* /------------------------\ */ |
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10 | /* | Erzeugung der Ur-RNS | */ |
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11 | /* \------------------------/ */ |
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12 | |
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13 | int orgLen; /* Lnge der Ur-RNS */ |
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14 | double orgHelixPart; /* Anteil Helix-Bereich */ |
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15 | static int rnsCreated; /* Anzahl bisher erzeugter RNS-Sequenzen */ |
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16 | |
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17 | /* /------------\ */ |
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18 | /* | Mutation | */ |
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19 | /* \------------/ */ |
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20 | |
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21 | int timeSteps; /* Anzahl Zeitschritte */ |
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22 | Frand mrpb_Init, /* Initialisierungsfunktion fr 'mutationRatePerBase' */ |
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23 | l2hrpb_Init, /* Initialisierungsfunktion fr 'loop2helixRatePerBase' */ |
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24 | pairPart, /* Anteil paarender Helix-Bindungen */ |
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25 | mutationRate, /* Mutationsrate */ |
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26 | splitRate, /* Spaltungsrate */ |
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27 | helixGcDruck, /* G-C-Druck im Helix-Bereich */ |
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28 | helixGcRate, /* Verhltnis G:C im Helix-Bereich */ |
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29 | helixAtRate, /* Verhltnis A:T im Helix-Bereich */ |
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30 | loopGcDruck, /* G-C-Druck im Loop-Bereich */ |
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31 | loopGcRate, /* Verhltnis G:C im Loop-Bereich */ |
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32 | loopAtRate; /* Verhltnis A:T im Loop-Bereich */ |
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33 | double transitionRate, /* Transition-Rate */ |
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34 | transversionRate; /* Transversion-Rate */ |
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35 | |
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36 | static double *mutationRatePerBase, /* positionsspez. Mutationsrate (wird nur einmal bestimmt und bleibt dann konstant) */ |
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37 | *loop2helixRatePerBase; /* positionsspez. Rate fr Wechsel Loop-Base in Helix-Base und vv. (wird nur einmal bestimmt und bleibt dann konstant) */ |
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38 | static int mrpb_anz, /* Anzahl Positionen */ |
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39 | mrpb_allocated, /* wirklich Gráe des Arrays */ |
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40 | l2hrpb_anz, /* Anzahl Positionen */ |
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41 | l2hrpb_allocated; /* wirklich Gráe des Arrays */ |
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42 | static DoubleProb helixMutationMatrix, /* Mutationsmatrix fr Helix-Bereiche */ |
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43 | loopMutationMatrix; /* Mutationsmatrix fr Loop-Bereiche */ |
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44 | |
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45 | /* /----------------------\ */ |
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46 | /* | Ausgabefilepointer | */ |
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47 | /* \----------------------/ */ |
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48 | |
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49 | FILE *topo, /* Topologie */ |
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50 | *seq; /* Sequenzen */ |
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51 | |
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52 | /* /-------------\ */ |
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53 | /* | Sonstiges | */ |
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54 | /* \-------------/ */ |
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55 | |
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56 | static int minDepth = INT_MAX, /* minimale Tiefe (Astanzahl) der Blattspitzen */ |
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57 | maxDepth = INT_MIN; /* maximale Tiefe der Blattspitzen */ |
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58 | |
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59 | /* -------------------------------------------------------------------------- */ |
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60 | /* void dumpDepths(void) */ |
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61 | /* ------------------------------------------------------ 24.05.95 22.27 ---- */ |
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62 | void dumpDepths(void) |
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63 | { |
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64 | printf("Minimale Baumtiefe = %i\n", minDepth); |
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65 | printf("Maximale Baumtiefe = %i\n", maxDepth); |
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66 | } |
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67 | /* -------------------------------------------------------------------------- */ |
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68 | /* static void dumpRNS(RNS rns) */ |
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69 | /* ------------------------------------------------------ 26.05.95 11.29 ---- */ |
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70 | static void dumpRNS(RNS rns) |
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71 | { |
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72 | int b, |
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73 | b1, |
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74 | b2; |
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75 | static int cleared, |
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76 | h_cnt[BASETYPES+1][BASETYPES+1], |
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77 | l_cnt[BASETYPES+1], |
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78 | loop, |
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79 | helix; |
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80 | |
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81 | if (!cleared) |
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82 | { |
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83 | for (b1 = 0; b1<(BASETYPES+1); b1++) |
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84 | { |
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85 | for (b2 = 0; b2<(BASETYPES+1); b2++) h_cnt[b1][b2] = 0; |
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86 | l_cnt[b1] = 0; |
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87 | } |
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88 | |
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89 | loop = 0; |
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90 | helix = 0; |
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91 | |
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92 | cleared = 1; |
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93 | } |
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94 | |
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95 | if (rns) |
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96 | { |
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97 | for (b = 0; b<(rns->bases); b++) |
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98 | { |
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99 | char base = rns->base[b]; |
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100 | |
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101 | if (isHelical(base)) |
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102 | { |
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103 | int bt1 = char2BaseType(base), |
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104 | bt2 = char2BaseType(rns->base[b+1]); |
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105 | |
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106 | h_cnt[bt1][bt2]++; |
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107 | helix++; |
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108 | b++; |
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109 | } |
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110 | else |
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111 | { |
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112 | int bt = char2BaseType(base); |
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113 | |
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114 | l_cnt[bt]++; |
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115 | loop++; |
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116 | } |
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117 | } |
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118 | } |
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119 | else |
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120 | { |
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121 | printf("Helix-Basenpaare = %i\n" |
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122 | "Loop-Basen = %i\n" |
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123 | "Helix:Loop = %f\n", |
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124 | helix, |
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125 | loop, |
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126 | (double)helix/(double)loop); |
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127 | |
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128 | { |
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129 | int gc = h_cnt[BASE_C][BASE_G]+h_cnt[BASE_G][BASE_C], |
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130 | at = h_cnt[BASE_A][BASE_T]+h_cnt[BASE_T][BASE_A], |
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131 | paarend = gc+at; |
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132 | |
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133 | printf("GC-Paare = %i\n" |
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134 | "AT-Paare = %i\n" |
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135 | "Paare:Helix-Bindungen = %f\n" |
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136 | "GC-Paare:Paare = %f\n", |
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137 | gc, |
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138 | at, |
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139 | (double)paarend/(double)helix, |
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140 | (double)gc/(double)paarend); |
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141 | } |
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142 | |
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143 | printf("\n"); |
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144 | } |
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145 | } |
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146 | /* -------------------------------------------------------------------------- */ |
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147 | /* static void initBaseSpecificProbs(int bases) */ |
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148 | /* ------------------------------------------------------ 24.05.95 12.51 ---- */ |
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149 | static void initBaseSpecificProbs(int bases) |
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150 | { |
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151 | int b; |
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152 | |
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153 | mrpb_anz = bases; |
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154 | mrpb_allocated = bases; |
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155 | mutationRatePerBase = malloc(bases*sizeof(double)); |
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156 | |
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157 | l2hrpb_anz = bases; |
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158 | l2hrpb_allocated = bases; |
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159 | loop2helixRatePerBase = malloc(bases*sizeof(double)); |
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160 | |
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161 | if (!mutationRatePerBase || !loop2helixRatePerBase) outOfMemory(); |
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162 | |
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163 | for (b = 0; b<bases; b++) |
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164 | { |
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165 | mutationRatePerBase[b] = getFrand(mrpb_Init); |
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166 | loop2helixRatePerBase[b] = getFrand(l2hrpb_Init); |
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167 | } |
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168 | } |
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169 | /* -------------------------------------------------------------------------- */ |
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170 | /* static RNS allocRNS(int len) */ |
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171 | /* ------------------------------------------------------ 20.05.95 16.04 ---- */ |
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172 | static RNS allocRNS(int len) |
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173 | { |
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174 | RNS rns = malloc(sizeof(*rns)); |
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175 | |
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176 | if (!rns) outOfMemory(); |
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177 | |
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178 | /* rns->bases = orgLen; */ |
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179 | /* rns->base = malloc(sizeof(*(rns->base))*orgLen); */ |
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180 | rns->bases = len; |
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181 | rns->base = malloc(sizeof(*(rns->base))*len); |
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182 | |
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183 | if (!rns->base) outOfMemory(); |
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184 | |
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185 | return rns; |
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186 | } |
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187 | /* -------------------------------------------------------------------------- */ |
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188 | /* RNS createOriginRNS(void) */ |
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189 | /* ------------------------------------------------------ 14.05.95 14:54 ---- */ |
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190 | /* */ |
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191 | /* Erzeugt eine Ur-RNS */ |
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192 | /* */ |
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193 | RNS createOriginRNS(void) |
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194 | { |
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195 | RNS rns = allocRNS(orgLen); |
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196 | int helixLen = orgLen*orgHelixPart, |
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197 | l; |
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198 | str base = rns->base; |
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199 | |
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200 | printf("Generating origin species..\n"); |
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201 | |
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202 | initBaseSpecificProbs(orgLen); |
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203 | |
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204 | rns->laufNr = rnsCreated++; |
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205 | |
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206 | /* /------------------\ */ |
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207 | /* | Helix erzeugen | im Loop-Bereich */ |
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208 | /* \------------------/ */ |
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209 | |
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210 | if (helixLen%1) helixLen--; /* muá gerade Lnge haben, da nur Paare! */ |
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211 | |
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212 | assert(helixLen<=orgLen); |
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213 | |
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214 | rns->helix = helixLen/2; |
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215 | rns->pairing = 0; |
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216 | |
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217 | { |
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218 | DoubleProb orgHelixProb; |
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219 | Spreading s; |
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220 | int b1, |
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221 | b2; |
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222 | double actPairPart = getFrand(pairPart), |
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223 | actHelixGcDruck = getFrand(helixGcDruck), |
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224 | actHelixGcRate = getFrand(helixGcRate), |
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225 | actHelixAtRate = getFrand(helixAtRate), |
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226 | nonPairProb = (1.0-actPairPart)/2.0; |
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227 | |
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228 | for (b1 = 0; b1<BASETYPES; b1++) |
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229 | { |
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230 | for (b2 = 0; b2<BASETYPES; b2++) |
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231 | { |
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232 | if (isPairing(b1, b2)) |
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233 | { |
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234 | switch (b1) |
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235 | { |
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236 | case BASE_A: |
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237 | case BASE_T: |
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238 | { |
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239 | orgHelixProb[b1][b2] = (actPairPart*(1.0-actHelixGcDruck))/2.0; |
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240 | break; |
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241 | } |
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242 | case BASE_C: |
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243 | case BASE_G: |
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244 | { |
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245 | orgHelixProb[b1][b2] = (actPairPart*actHelixGcDruck)/2.0; |
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246 | break; |
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247 | } |
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248 | } |
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249 | } |
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250 | else |
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251 | { |
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252 | double prob = nonPairProb; |
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253 | int b = b1; |
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254 | |
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255 | while (1) /* wird je einmal mit b1 und b2 ausgefhrt */ |
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256 | { |
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257 | switch (b) |
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258 | { |
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259 | case BASE_A: |
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260 | { |
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261 | prob = prob*(1.0-actHelixGcDruck)*actHelixAtRate; |
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262 | break; |
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263 | } |
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264 | case BASE_C: |
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265 | { |
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266 | prob = prob*actHelixGcDruck*(1.0-actHelixGcRate); |
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267 | break; |
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268 | } |
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269 | case BASE_G: |
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270 | { |
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271 | prob = prob*actHelixGcDruck*actHelixGcRate; |
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272 | break; |
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273 | } |
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274 | case BASE_T: |
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275 | { |
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276 | prob = prob*(1.0-actHelixGcDruck)*(1.0-actHelixAtRate); |
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277 | break; |
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278 | } |
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279 | } |
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280 | |
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281 | if (b==b2) break; |
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282 | b = b2; |
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283 | } |
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284 | |
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285 | orgHelixProb[b1][b2] = prob; |
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286 | } |
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287 | } |
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288 | } |
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289 | |
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290 | s = newSpreading((double*)orgHelixProb, BASEQUAD); |
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291 | |
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292 | for (l = 0; l<helixLen; l+=2) |
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293 | { |
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294 | int val = spreadRand(s), |
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295 | B1 = val%BASETYPES, |
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296 | B2 = val/BASETYPES; |
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297 | |
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298 | base[l] = helixBaseChar[B1]; |
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299 | base[l+1] = helixBaseChar[B2]; |
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300 | |
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301 | rns->pairing += isPairing(B1, B2); |
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302 | } |
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303 | |
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304 | freeSpreading(s); |
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305 | } |
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306 | |
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307 | /* /-----------------\ */ |
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308 | /* | Loop erzeugen | */ |
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309 | /* \-----------------/ */ |
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310 | |
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311 | { |
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312 | SingleProb orgLoopProb; |
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313 | Spreading s; |
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314 | double actLoopGcDruck = getFrand(loopGcDruck), |
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315 | actLoopGcRate = getFrand(loopGcRate), |
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316 | actLoopAtRate = getFrand(loopAtRate); |
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317 | |
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318 | orgLoopProb[BASE_A] = (1.0-actLoopGcDruck)*actLoopAtRate; |
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319 | orgLoopProb[BASE_C] = actLoopGcDruck*(1.0-actLoopGcRate); |
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320 | orgLoopProb[BASE_G] = actLoopGcDruck*actLoopGcRate; |
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321 | orgLoopProb[BASE_T] = (1.0-actLoopGcDruck)*(1.0-actLoopAtRate); |
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322 | |
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323 | s = newSpreading((double*)orgLoopProb, BASETYPES); |
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324 | for (; l<orgLen; l++) base[l] = loopBaseChar[spreadRand(s)]; |
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325 | freeSpreading(s); |
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326 | } |
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327 | |
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328 | return rns; |
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329 | } |
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330 | /* -------------------------------------------------------------------------- */ |
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331 | /* void freeRNS(RNS rns) */ |
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332 | /* ------------------------------------------------------ 20.05.95 19.45 ---- */ |
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333 | void freeRNS(RNS rns) |
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334 | { |
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335 | free(rns->base); |
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336 | free(rns); |
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337 | } |
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338 | /* -------------------------------------------------------------------------- */ |
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339 | /* static RNS dupRNS(RNS rns) */ |
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340 | /* ------------------------------------------------------ 20.05.95 20.32 ---- */ |
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341 | static RNS dupRNS(RNS rns) |
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342 | { |
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343 | RNS neu = malloc(sizeof(*rns)); |
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344 | |
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345 | if (!neu) outOfMemory(); |
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346 | |
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347 | memcpy(neu, rns, sizeof(*rns)); |
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348 | |
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349 | neu->base = malloc(rns->bases*sizeof(*(neu->base))); |
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350 | memcpy(neu->base, rns->base, rns->bases); |
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351 | |
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352 | neu->laufNr = rnsCreated++; |
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353 | |
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354 | return neu; |
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355 | } |
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356 | /* -------------------------------------------------------------------------- */ |
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357 | /* static void dumpDoubleProb(double *d, int anz) */ |
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358 | /* ------------------------------------------------------ 25.05.95 01.31 ---- */ |
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359 | /*static void dumpDoubleProb(double *d, int anz) */ |
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360 | /*{ */ |
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361 | /* while (anz--) printf("%-10f", *d++); */ |
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362 | /* printf("\n\n"); */ |
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363 | /*} */ |
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364 | /* -------------------------------------------------------------------------- */ |
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365 | /* static void calcMutationMatrix(DoubleProb mutationMatrix, double mu... */ |
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366 | /* ------------------------------------------------------ 24.05.95 13.58 ---- */ |
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367 | static void calcMutationMatrix(DoubleProb mutationMatrix, double muteRate, double gcDruck, double gcRate, double atRate, double *pairProb) |
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368 | { |
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369 | double k = transitionRate/transversionRate, |
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370 | fa = (1.0-gcDruck)*atRate, |
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371 | fc = gcDruck*(1.0-gcRate), |
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372 | fg = gcDruck*gcRate, |
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373 | ft = (1.0-gcDruck)*(1.0-atRate), |
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374 | bfa = transversionRate*fa, |
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375 | bfc = transversionRate*fc, |
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376 | bfg = transversionRate*fg, |
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377 | bft = transversionRate*ft, |
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378 | kag = k/(fa+fg), |
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379 | kct = k/(fc+ft); |
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380 | /* sa = (kag+3.0)*bfa, // Summe der "mutierenden" Positionen jeder Zeile */ |
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381 | /* sc = (kct+3.0)*bfc, */ |
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382 | /* sg = (kag+3.0)*bfg, */ |
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383 | /* st = (kct+3.0)*bft; */ |
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384 | |
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385 | /* Auf aktuelle Mutationsrate normieren */ |
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386 | |
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387 | /* bfa = bfa*muteRate/sa; */ |
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388 | /* bfc = bfc*muteRate/sc; */ |
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389 | /* bfg = bfg*muteRate/sg; */ |
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390 | /* bft = bft*muteRate/st; */ |
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391 | |
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392 | /* printf("bfa=%f\n", bfa); */ |
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393 | /* printf("bfc=%f\n", bfc); */ |
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394 | /* printf("bfg=%f\n", bfg); */ |
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395 | /* printf("bft=%f\n", bft); */ |
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396 | |
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397 | /* Matrix besetzen */ |
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398 | |
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399 | mutationMatrix[BASE_A][BASE_A] = 1.0-(kag+3.0)*bfa; |
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400 | mutationMatrix[BASE_C][BASE_A] = bfa; |
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401 | mutationMatrix[BASE_G][BASE_A] = (kag+1.0)*bfa; |
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402 | mutationMatrix[BASE_T][BASE_A] = bfa; |
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403 | |
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404 | mutationMatrix[BASE_A][BASE_C] = bfc; |
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405 | mutationMatrix[BASE_C][BASE_C] = 1.0-(kct+3.0)*bfc; |
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406 | mutationMatrix[BASE_G][BASE_C] = bfc; |
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407 | mutationMatrix[BASE_T][BASE_C] = (kct+1.0)*bfc; |
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408 | |
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409 | mutationMatrix[BASE_A][BASE_G] = (kag+1.0)*bfg; |
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410 | mutationMatrix[BASE_C][BASE_G] = bfg; |
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411 | mutationMatrix[BASE_G][BASE_G] = 1.0-(kag+3.0)*bfg; |
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412 | mutationMatrix[BASE_T][BASE_G] = bfg; |
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413 | |
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414 | mutationMatrix[BASE_A][BASE_T] = bft; |
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415 | mutationMatrix[BASE_C][BASE_T] = (kct+1.0)*bft; |
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416 | mutationMatrix[BASE_G][BASE_T] = bft; |
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417 | mutationMatrix[BASE_T][BASE_T] = 1.0-(kct+3.0)*bft; |
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418 | |
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419 | /* { */ |
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420 | /* int von, // Matrix ausgeben */ |
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421 | /* nach; */ |
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422 | /* */ |
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423 | /* printf(" von %c von %c von %c von %c \n", */ |
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424 | /* helixBaseChar[0], */ |
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425 | /* helixBaseChar[1], */ |
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426 | /* helixBaseChar[2], */ |
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427 | /* helixBaseChar[3] ); */ |
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428 | /* */ |
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429 | /* for (nach = BASE_A; nach<=BASE_T; nach++) */ |
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430 | /* { */ |
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431 | /* double sum = 0.0; */ |
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432 | /* */ |
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433 | /* printf("nach %c ", helixBaseChar[nach]); */ |
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434 | /* */ |
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435 | /* for (von = BASE_A; von<=BASE_T; von++) */ |
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436 | /* { */ |
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437 | /* printf("%-10f", mutationMatrix[von][nach]); */ |
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438 | /* sum += mutationMatrix[von][nach]; */ |
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439 | /* } */ |
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440 | /* */ |
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441 | /* printf(" sum = %-10f\n", sum); */ |
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442 | /* } */ |
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443 | /* */ |
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444 | /* printf("\n"); */ |
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445 | /* } */ |
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446 | |
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447 | if (pairProb) /* soll pairProb berechnet werden? */ |
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448 | { |
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449 | double mutatesTo[BASETYPES], |
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450 | freq[BASETYPES]; /* Hufigkeit der einzelnen Basen */ |
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451 | int von, |
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452 | nach; |
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453 | |
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454 | freq[BASE_A] = fa; |
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455 | freq[BASE_C] = fc; |
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456 | freq[BASE_G] = fg; |
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457 | freq[BASE_T] = ft; |
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458 | |
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459 | for (nach = 0; nach<BASETYPES; nach++) |
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460 | mutatesTo[nach] = 0.0; |
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461 | |
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462 | for (von = 0; von<BASETYPES; von++) |
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463 | for (nach = 0; nach<BASETYPES; nach++) |
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464 | mutatesTo[nach] += mutationMatrix[von][nach]*freq[von]; |
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465 | |
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466 | *pairProb = 2.0*mutatesTo[BASE_A]*mutatesTo[BASE_T] + 2.0*mutatesTo[BASE_C]*mutatesTo[BASE_G]; |
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467 | } |
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468 | } |
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469 | /* -------------------------------------------------------------------------- */ |
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470 | /* static int calcPairTrials(double pairProb, double actPairPart) */ |
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471 | /* ------------------------------------------------------ 25.05.95 13.31 ---- */ |
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472 | /* */ |
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473 | /* Berechnet die Anzahl Mutations-Wiederholungen, die notwendig sind, um */ |
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474 | /* mindestens 'actPairPart' Prozent paarende Bindungen zu erhalten, falls */ |
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475 | /* die Wahrscheinlichkeit eine paarende Bindung zu erzeugen gleich */ |
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476 | /* 'pairProb' ist. */ |
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477 | /* */ |
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478 | static int calcPairTrials(double pairProb, double actPairPart) |
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479 | { |
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480 | int trials = 1; |
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481 | double failProb = 1.0-pairProb, |
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482 | succProb = pairProb; |
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483 | |
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484 | while (succProb<actPairPart) |
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485 | { |
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486 | pairProb *= failProb; |
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487 | succProb += pairProb; |
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488 | trials++; |
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489 | |
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490 | /* printf("trials=%i succProb=%f actPairPart=%f\n", trials, succProb, actPairPart); */ |
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491 | } |
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492 | |
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493 | return trials; |
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494 | } |
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495 | /* -------------------------------------------------------------------------- */ |
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496 | /* static void indent(int depth) */ |
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497 | /* ------------------------------------------------------ 24.05.95 21.08 ---- */ |
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498 | /*static void indent(int depth) */ |
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499 | /*{ */ |
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500 | /* while (depth--) fputc(' ', topo); */ |
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501 | /*} */ |
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502 | /* -------------------------------------------------------------------------- */ |
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503 | /* static void mutateRNS(RNS rns, int steps, int depth) */ |
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504 | /* ------------------------------------------------------ 20.05.95 19.50 ---- */ |
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505 | /* */ |
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506 | /* Mutiert eine RNS bis zur nchsten Spaltung */ |
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507 | /* */ |
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508 | /* 'steps' Anzahl noch zu durchlaufender Zeitschritte */ |
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509 | /* */ |
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510 | static void mutateRNS(int no_of_father, RNS rns, int steps, int depth) |
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511 | { |
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512 | int splitInSteps, |
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513 | s; |
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514 | double mutationTime = 0.0; |
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515 | |
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516 | /* /---------------------------------------\ */ |
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517 | /* | Schritte bis zur Spaltung berechnen | */ |
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518 | /* \---------------------------------------/ */ |
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519 | |
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520 | { |
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521 | double actualSplitRate = getFrand(splitRate); |
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522 | |
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523 | assert(actualSplitRate!=0); |
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524 | |
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525 | splitInSteps = (int)(1.0/actualSplitRate); |
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526 | if (splitInSteps>steps) splitInSteps = steps; |
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527 | |
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528 | assert(splitInSteps>=1); |
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529 | } |
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530 | |
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531 | /* /----------------------------\ */ |
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532 | /* | Zeitschritte durchlaufen | */ |
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533 | /* \----------------------------/ */ |
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534 | |
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535 | for (s = 0; s<splitInSteps; s++) |
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536 | { |
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537 | int b, |
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538 | pairTrials; /* Anzahl Versuche eine paarende Helixbindung herzustellen */ |
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539 | double actMutationRate = getFrand(mutationRate), |
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540 | actPairPart = getFrand(pairPart); |
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541 | Spreading s_helix[BASETYPES], |
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542 | s_loop[BASETYPES]; |
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543 | |
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544 | { |
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545 | double pairProb; /* Wahrscheinlichkeit, daá ein Paar im helikalen Bereich entsteht */ |
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546 | |
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547 | calcMutationMatrix(helixMutationMatrix, 1.0, getFrand(helixGcDruck), getFrand(helixGcRate), getFrand(helixAtRate), &pairProb); |
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548 | calcMutationMatrix(loopMutationMatrix, actMutationRate, getFrand(loopGcDruck), getFrand(loopGcRate), getFrand(loopAtRate), NULL); |
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549 | |
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550 | pairTrials = calcPairTrials(pairProb, actPairPart); |
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551 | /* printf("pairProb=%f pairTrials=%i\n", pairProb, pairTrials); */ |
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552 | } |
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553 | |
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554 | for (b = 0; b<BASETYPES; b++) |
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555 | { |
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556 | s_helix[b] = newSpreading(&(helixMutationMatrix[b][0]), BASETYPES); |
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557 | s_loop[b] = newSpreading(&(loopMutationMatrix[b][0]), BASETYPES); |
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558 | } |
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559 | |
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560 | mutationTime += actMutationRate; /* Mutationszeit aufaddieren (Einheit ist Mutationsrate*Zeitschritte) */ |
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561 | |
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562 | /* /----------------------------------\ */ |
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563 | /* | Alle Basen(-paare) durchlaufen | */ |
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564 | /* \----------------------------------/ */ |
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565 | |
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566 | for (b = 0; b<(rns->bases); ) |
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567 | { |
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568 | char base = rns->base[b]; |
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569 | |
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570 | if (!isDeleted(base)) /* Deletes ignorieren */ |
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571 | { |
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572 | /* /---------------------\ */ |
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573 | /* | Helicale Bereiche | */ |
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574 | /* \---------------------/ */ |
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575 | |
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576 | if (isHelical(base)) |
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577 | { |
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578 | int trials = pairTrials, |
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579 | mut1 = randProb()<mutationRatePerBase[b]*actMutationRate, |
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580 | mut2 = randProb()<mutationRatePerBase[b+1]*actMutationRate; |
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581 | char base2 = rns->base[b+1]; |
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582 | |
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583 | assert(isHelical(base2)); |
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584 | |
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585 | if (mut1 || mut2) |
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586 | { |
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587 | int bt1 = char2BaseType(base), |
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588 | bt2 = char2BaseType(base2); |
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589 | |
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590 | if (isPairing(bt1, bt2)) |
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591 | { |
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592 | rns->pairing--; |
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593 | } |
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594 | |
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595 | while (trials--) |
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596 | { |
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597 | if (mut1) |
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598 | { |
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599 | if (mut2) /* beide Basen mutieren */ |
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600 | { |
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601 | bt1 = spreadRand(s_helix[bt1]); |
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602 | bt2 = spreadRand(s_helix[bt2]); |
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603 | } |
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604 | else /* nur 1.Base mutieren */ |
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605 | { |
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606 | bt1 = spreadRand(s_helix[bt1]); |
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607 | } |
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608 | } |
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609 | else /* nur 2.Base mutieren */ |
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610 | { |
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611 | bt2 = spreadRand(s_helix[bt2]); |
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612 | } |
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613 | |
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614 | if (isPairing(bt1, bt2)) /* paarend? ja->abbrechen */ |
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615 | { |
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616 | rns->pairing++; |
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617 | break; |
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618 | } |
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619 | } |
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620 | |
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621 | rns->base[b] = helixBaseChar[bt1]; |
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622 | rns->base[b+1] = helixBaseChar[bt2]; |
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623 | } |
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624 | |
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625 | b++; |
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626 | } |
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627 | |
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628 | /* /-----------------\ */ |
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629 | /* | Loop-Bereiche | */ |
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630 | /* \-----------------/ */ |
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631 | |
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632 | else |
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633 | { |
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634 | double mutationProb = actMutationRate*mutationRatePerBase[b]; |
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635 | |
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636 | if (randProb()<mutationProb) |
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637 | { |
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638 | rns->base[b] = loopBaseChar[spreadRand(s_loop[char2BaseType(base)])]; |
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639 | } |
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640 | } |
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641 | } |
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642 | |
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643 | b++; |
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644 | } |
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645 | |
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646 | for (b = 0; b<BASETYPES; b++) |
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647 | { |
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648 | freeSpreading(s_helix[b]); |
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649 | freeSpreading(s_loop[b]); |
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650 | } |
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651 | } |
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652 | |
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653 | splitRNS(no_of_father, rns, mutationTime, steps-splitInSteps, depth+1); |
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654 | } |
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655 | /* -------------------------------------------------------------------------- */ |
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656 | /* void splitRNS(RNS origin, double age, int steps, int depth) */ |
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657 | /* ------------------------------------------------------ 20.05.95 20.13 ---- */ |
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658 | /* */ |
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659 | /* Spaltet eine RNS in zwei Species auf */ |
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660 | /* */ |
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661 | void splitRNS(int no_of_father, RNS origin, double age, int steps, int depth) |
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662 | { |
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663 | int x; |
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664 | |
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665 | dumpRNS(origin); |
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666 | |
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667 | /* /---------------------\ */ |
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668 | /* | Sequenz schreiben | */ |
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669 | /* \---------------------/ */ |
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670 | |
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671 | if (no_of_father != -1) { |
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672 | fprintf(seq, ">no%i son of no%i\n", origin->laufNr, no_of_father); |
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673 | } |
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674 | else { |
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675 | fprintf(seq, ">no%i father of all species\n", origin->laufNr); |
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676 | } |
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677 | no_of_father = origin->laufNr; /* now i'm the father */ |
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678 | for (x = 0; x<(origin->bases); x++) fputc(origin->base[x], seq); |
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679 | fputc('\n', seq); |
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680 | |
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681 | if (steps) /* Species splitten! */ |
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682 | { |
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683 | double gcDruck_val = helixGcDruck->val, /* Frand-Werte merken */ |
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684 | pairPart_val = pairPart->val, |
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685 | mutationRate_val = mutationRate->val, |
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686 | splitRate_val = splitRate->val; |
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687 | |
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688 | /* indent(depth); */ |
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689 | fprintf(topo, "(no%i:%f,\n", origin->laufNr, age); |
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690 | |
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691 | { |
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692 | RNS left = dupRNS(origin); /* linker Sohn */ |
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693 | |
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694 | mutateRNS(no_of_father, left, steps, depth); |
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695 | freeRNS(left); |
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696 | } |
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697 | |
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698 | fputs(",\n", topo); |
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699 | |
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700 | helixGcDruck->val = gcDruck_val; /* Frand-Werte wiederherstellen */ |
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701 | pairPart->val = pairPart_val; |
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702 | mutationRate->val = mutationRate_val; |
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703 | splitRate->val = splitRate_val; |
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704 | |
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705 | { |
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706 | RNS right = dupRNS(origin); /* rechter Sohn */ |
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707 | |
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708 | mutateRNS(no_of_father, right, steps, depth); |
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709 | freeRNS(right); |
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710 | } |
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711 | |
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712 | fputc(')', topo); |
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713 | } |
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714 | else /* Baumspitze */ |
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715 | { |
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716 | if (depth>maxDepth) maxDepth = depth; |
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717 | else if (depth<minDepth) minDepth = depth; |
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718 | |
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719 | /* indent(depth); */ |
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720 | fprintf(topo, "no%i:%f", origin->laufNr, age); |
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721 | |
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722 | if ((origin->laufNr%100) == 0) { |
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723 | printf("generated Species: %i\n", origin->laufNr); |
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724 | } |
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725 | } |
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726 | |
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727 | if (age==0.0) dumpRNS(NULL); |
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728 | } |
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729 | |
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730 | |
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