Mercurial > repos > yufei-luo > s_mart
annotate smart_toolShed/SMART/Java/Python/toolLauncher/RnaFoldLauncher.py @ 0:e0f8dcca02ed
Uploaded S-MART tool. A toolbox manages RNA-Seq and ChIP-Seq data.
author | yufei-luo |
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date | Thu, 17 Jan 2013 10:52:14 -0500 |
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Uploaded S-MART tool. A toolbox manages RNA-Seq and ChIP-Seq data.
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1 # |
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2 # Copyright INRA-URGI 2009-2010 |
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3 # |
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4 # This software is governed by the CeCILL license under French law and |
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5 # abiding by the rules of distribution of free software. You can use, |
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6 # modify and/ or redistribute the software under the terms of the CeCILL |
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7 # license as circulated by CEA, CNRS and INRIA at the following URL |
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8 # "http://www.cecill.info". |
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9 # |
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10 # As a counterpart to the access to the source code and rights to copy, |
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11 # modify and redistribute granted by the license, users are provided only |
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12 # with a limited warranty and the software's author, the holder of the |
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13 # economic rights, and the successive licensors have only limited |
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14 # liability. |
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15 # |
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16 # In this respect, the user's attention is drawn to the risks associated |
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17 # with loading, using, modifying and/or developing or reproducing the |
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18 # software by the user in light of its specific status of free software, |
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19 # that may mean that it is complicated to manipulate, and that also |
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20 # therefore means that it is reserved for developers and experienced |
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21 # professionals having in-depth computer knowledge. Users are therefore |
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22 # encouraged to load and test the software's suitability as regards their |
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23 # requirements in conditions enabling the security of their systems and/or |
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24 # data to be ensured and, more generally, to use and operate it in the |
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25 # same conditions as regards security. |
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26 # |
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27 # The fact that you are presently reading this means that you have had |
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28 # knowledge of the CeCILL license and that you accept its terms. |
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29 # |
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30 import os |
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31 import sys |
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32 import random |
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33 import subprocess |
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34 from SMART.Java.Python.structure.TranscriptList import TranscriptList |
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35 from SMART.Java.Python.structure.Transcript import Transcript |
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36 from SMART.Java.Python.misc.Progress import Progress |
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37 from commons.core.parsing.FastaParser import FastaParser |
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38 |
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39 |
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40 class RnaFoldStructure(object): |
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41 """ |
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42 A structure to store the output of RNAFold |
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43 @ivar name: the name of the sequence |
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44 @type name: string |
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45 @ivar sequence: the sequence (with gaps) |
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46 @type sequence: string |
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47 @ivar structure: the bracket structure |
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48 @type structure: string |
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49 @ivar energy: the energy of the fold |
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50 @type energy: float |
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51 @ivar interactions: the interactions inside the structure |
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52 @ivar interactions: the interactions inside the structure |
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53 """ |
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54 |
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55 def __init__(self, name, sequence, structure, energy): |
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56 """ |
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57 Initialize the structure |
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58 @param name the name of the sequence |
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59 @type name: string |
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60 @param sequence: the sequence (with gaps) |
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61 @type sequence: string |
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62 @param structure: the bracket structure |
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63 @type structure: string |
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64 @param energy: the energy of the fold |
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65 @type energy: float |
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66 """ |
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67 self.name = name |
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68 self.sequence = sequence |
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69 self.structure = structure |
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70 self.energy = energy |
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71 self.interactions = None |
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72 |
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73 |
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74 def analyze(self): |
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75 """ |
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76 Analyze the output, assign the interactions |
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77 """ |
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78 if len(self.sequence) != len(self.structure): |
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79 sys.exit("Sizes of sequence and structure differ ('%s' and '%s')!\n" % (self.sequence, self.structure)) |
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80 stack = [] |
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81 self.interactions = [None for i in range(len(self.sequence))] |
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82 for i in range(len(self.sequence)): |
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83 if self.structure[i] == "(": |
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84 stack.append(i) |
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85 elif self.structure[i] == ")": |
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86 if not stack: |
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87 sys.exit("Something wrong in the interaction line '%s'!\n" % (self.structure)) |
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88 otherI = stack.pop() |
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89 self.interactions[i] = otherI |
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90 self.interactions[otherI] = i |
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91 if stack: |
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92 sys.exit("Something wrong in the interaction line '%s'!\n" % (self.structure)) |
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93 |
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94 |
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95 def getNbBulges(self, start = None, end = None): |
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96 """ |
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97 Get the number of insertions in a given range (in number of letters) |
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98 @param start: where to start the count |
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99 @type start: int |
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100 @param end: where to end the co |
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101 @type end: int |
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102 """ |
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103 if start == None: |
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104 start = 0 |
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105 if end == None: |
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106 end = len(self.sequence) |
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107 previousInt = None |
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108 nbBulges = 0 |
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109 inRegion = False |
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110 for i in range(len(self.sequence)): |
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111 if i == start: |
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112 inRegion = True |
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113 if i > end: |
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114 return nbBulges |
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115 if inRegion: |
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116 if self.interactions[i] == None: |
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117 nbBulges += 1 |
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118 elif previousInt != None and abs(self.interactions[i] - previousInt) != 1: |
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119 nbBulges += 1 |
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120 previousInt = self.interactions[i] |
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121 return nbBulges |
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122 |
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123 |
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124 def getStar(self, start = None, end = None): |
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125 """ |
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126 Get the supposed miRNA* |
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127 @param start: where to start the count |
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128 @type start: int |
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129 @param end: where to end the co |
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130 @type end: int |
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131 """ |
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132 if start == None: |
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133 start = 0 |
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134 if end == None: |
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135 end = len(self.sequence) |
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136 minStar = 1000000 |
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137 maxStar = 0 |
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138 inRegion = False |
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139 for i in range(len(self.sequence)): |
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140 if i == start: |
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141 inRegion = True |
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142 if i > end: |
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143 return (minStar, maxStar) |
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144 if inRegion: |
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145 if self.interactions[i] != None: |
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146 minStar = min(minStar, self.interactions[i]) |
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147 maxStar = max(maxStar, self.interactions[i]) |
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148 return (minStar, maxStar) |
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149 |
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150 |
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151 |
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152 class RnaFoldLauncher(object): |
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153 """ |
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154 Start and parse a RNAFold instance |
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155 @ivar inputTranscriptList: a list of transcripts |
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156 @type inputTranscriptList: class L{TranscriptList<TranscriptList>} |
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157 @ivar genomeFileParser: a parser to the genome file |
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158 @type genomeFileParser: class L{SequenceListParser<SequenceListParser>} |
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159 @ivar bothStrands: whether folding is done on both strands |
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160 @type bothStrands: bool |
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161 @ivar fivePrimeExtension: extension towards the 5' end |
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162 @type fivePrimeExtension: int |
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163 @ivar threePrimeExtension: extension towards the 3' end |
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164 @type threePrimeExtension: int |
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165 @ivar inputTranscriptList: the input list of transcripts |
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166 @type inputTranscriptList: class L{TranscriptList<TranscriptList>} |
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167 @ivar outputTranscriptList: the output list of transcripts |
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168 @type outputTranscriptList: class L{TranscriptList<TranscriptList>} |
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169 @ivar tmpInputFileName: the name of the temporary input file for RNAFold |
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170 @type tmpInputFileName: string |
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171 @ivar tmpOutputFileName: the name of the temporary output file for RNAFold |
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172 @type tmpOutputFileName: string |
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173 @ivar verbosity: verbosity |
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174 @type verbosity: int [default: 0] |
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175 """ |
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176 |
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177 def __init__(self, verbosity = 0): |
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178 """ |
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179 Constructor |
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180 @param verbosity: verbosity |
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181 @type verbosity: int |
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182 """ |
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183 self.verbosity = verbosity |
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184 self.transcriptNames = [] |
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185 randomNumber = random.randint(0, 100000) |
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186 self.bothStrands = True |
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187 self.tmpInputFileName = "tmpInput_%d.fas" % (randomNumber) |
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188 self.tmpOutputFileName = "tmpOutput_%d.fas" % (randomNumber) |
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189 self.outputTranscriptList = None |
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190 self.fivePrimeExtension = 0 |
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191 self.threePrimeExtension = 0 |
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192 |
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193 |
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194 def __del__(self): |
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195 for file in (self.tmpInputFileName, self.tmpOutputFileName): |
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196 if os.path.isfile(file): |
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197 os.remove(file) |
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198 |
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199 |
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200 def setTranscriptList(self, inputTranscriptList): |
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201 """ |
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202 Set the list of transcripts |
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203 @ivar inputTranscriptList: a list of transcripts |
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204 @type inputTranscriptList: class L{TranscriptList<TranscriptList>} |
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205 """ |
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206 self.inputTranscriptList = inputTranscriptList |
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207 |
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208 |
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209 def setExtensions(self, fivePrime, threePrime): |
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210 """ |
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211 Set extension sizes |
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212 @ivar fivePrime: extension towards the 5' end |
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213 @type fivePrime: int |
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214 @ivar threePrime: extension towards the 3' end |
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215 @type threePrime: int |
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216 """ |
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217 self.fivePrimeExtension = fivePrime |
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218 self.threePrimeExtension = threePrime |
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219 |
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220 |
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221 def setNbStrands(self, nbStrands): |
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222 """ |
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223 Set number of strands |
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224 @ivar nbStrands: if 2, the work is done on both strands |
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225 @type nbStrands: int |
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226 """ |
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227 self.nbStrands = nbStrands |
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228 |
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229 |
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230 def setGenomeFile(self, fileName): |
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231 """ |
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232 Set the genome file |
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233 @ivar genomeFileName: the multi-FASTA file containing the genome |
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234 @type genomeFileName: a string |
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235 """ |
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236 self.genomeFileParser = FastaParser(fileName, self.verbosity) |
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237 |
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238 |
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239 def writeInputFile(self, transcript, reverse, fivePrimeExtension, threePrimeExtension): |
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240 """ |
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241 Write the RNAFold input file, containing the sequence corresponding to the transcript |
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242 @ivar transcript: a transcript |
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243 @type transcript: class L{Transcript<Transcript>} |
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244 @ivar reverse: invert the extensions |
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245 @type reverse: bool |
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246 """ |
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247 transcriptCopy = Transcript(transcript) |
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248 transcriptCopy.removeExons() |
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249 if not reverse: |
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250 transcriptCopy.extendStart(fivePrimeExtension) |
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251 transcriptCopy.extendEnd(threePrimeExtension) |
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252 else: |
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253 transcriptCopy.extendStart(threePrimeExtension) |
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254 transcriptCopy.extendEnd(fivePrimeExtension) |
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255 sequence = transcriptCopy.extractSequence(self.genomeFileParser) |
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256 handle = open(self.tmpInputFileName, "w") |
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257 handle.write(">%s\n%s\n" % (sequence.getName().replace(":", "_").replace(".", "_"), sequence.getSequence())) |
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258 handle.close() |
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259 |
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260 |
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261 def startRnaFold(self): |
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262 """ |
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263 Start RNAFold |
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264 """ |
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265 command = "RNAfold < %s > %s" % (self.tmpInputFileName, self.tmpOutputFileName) |
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266 if self.verbosity > 100: |
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267 print "Launching command '%s'" % (command) |
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268 status = subprocess.call(command, shell=True) |
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269 if status != 0: |
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270 raise Exception("Problem with RNAFold! Input file is %s, status is: %s" % (self.tmpInputFileName, status)) |
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271 |
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272 |
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273 def parseRnaFoldOutput(self): |
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274 """ |
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275 Parse an output file of RNAFold |
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276 @return: an RnaFoldStructure |
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277 """ |
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278 lines = open(self.tmpOutputFileName).readlines() |
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279 if len(lines) != 3: |
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280 raise Exception("Problem in RNAfold output! '%s'" % (lines)) |
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281 name = lines[0].strip()[1:].split()[0] |
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282 sequence = lines[1].strip() |
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283 structure = lines[2].strip().split()[0] |
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284 energy = float(lines[2].strip().split(" ", 1)[1][1:-1].strip()) |
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285 if self.verbosity > 100: |
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286 print "Getting sequence %s, structure %s" % (sequence, structure) |
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287 return RnaFoldStructure(name, sequence, structure, energy) |
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288 |
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289 |
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290 def analyzeRnaFoldOutput(self, transcript, rnaFoldOutput, reverse, fivePrimeExtension, threePrimeExtension): |
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291 """ |
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292 Analyze the RNAFold |
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293 @ivar transcript: a transcript |
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294 @type transcript: class L{Transcript<Transcript>} |
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295 @ivar rnaFoldOutput: the output of RNAFold |
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296 @type rnaFoldOutput: class L{RnaFoldStructure<RnaFoldStructure>} |
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297 @ivar reverse: invert the extensions |
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298 @type reverse: bool |
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299 @return: a t-uple of energy, number of insertions, number of bulges, strand |
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300 """ |
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301 rnaFoldOutput.analyze() |
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302 transcriptSize = transcript.end - transcript.start + 1 |
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303 start = fivePrimeExtension if not reverse else threePrimeExtension |
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304 end = start + transcriptSize |
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305 energy = rnaFoldOutput.energy |
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306 nbBulges = rnaFoldOutput.getNbBulges(start, end) |
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307 (minStar, maxStar) = rnaFoldOutput.getStar(start, end) |
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308 minStar += transcript.start - start |
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309 maxStar += transcript.start - start |
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310 if self.verbosity > 100: |
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311 print "Getting structure with energy %d, nbBulges %d, miRna* %d-%d, strand %s" % (energy, nbBulges, minStar, maxStar, "-" if reverse else "+") |
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312 return (energy, nbBulges, minStar, maxStar, reverse) |
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313 |
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314 |
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315 def fold(self, transcript): |
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316 """ |
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317 Fold a transcript (in each strand) |
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318 @ivar transcript: a transcript |
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319 @type transcript: class L{Transcript<Transcript>} |
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320 @return: a t-uple of energy, number of insertions, number of bulges, strand |
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321 """ |
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322 results = [None] * self.nbStrands |
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323 strands = [False, True] if self.nbStrands == 2 else [False] |
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324 minNbBulges = 1000000 |
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325 for i, reverse in enumerate(strands): |
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326 self.writeInputFile(transcript, reverse, self.fivePrimeExtension, self.threePrimeExtension) |
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327 self.startRnaFold() |
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328 output = self.parseRnaFoldOutput() |
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329 results[i] = self.analyzeRnaFoldOutput(transcript, output, reverse, self.fivePrimeExtension, self.threePrimeExtension) |
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330 minNbBulges = min(minNbBulges, results[i][1]) |
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331 for result in results: |
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332 if result[1] == minNbBulges: |
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333 return result |
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334 return None |
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335 |
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336 |
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337 def refold(self, transcript): |
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338 """ |
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339 Fold a transcript, knowing where the miRNA starts and end |
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340 @ivar transcript: a transcript |
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341 @type transcript: class L{Transcript<Transcript>} |
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342 @return: the energy |
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343 """ |
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344 miStar = transcript.getTagValue("miRnaStar") |
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345 startMiStar = int(miStar.split("-")[0]) |
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346 endMiStart = int(miStar.split("-")[1]) |
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347 fivePrimeExtension = max(0, transcript.start - startMiStar) + 5 |
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348 threePrimeExtension = max(0, endMiStart - transcript.end) + 5 |
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349 self.writeInputFile(transcript, False, fivePrimeExtension, threePrimeExtension) |
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350 self.startRnaFold() |
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351 output = self.parseRnaFoldOutput() |
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352 result = self.analyzeRnaFoldOutput(transcript, output, False, fivePrimeExtension, threePrimeExtension) |
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353 return result[0] |
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354 |
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355 |
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356 def computeResults(self): |
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357 """ |
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358 Fold all and fill an output transcript list with the values |
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359 """ |
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360 progress = Progress(self.inputTranscriptList.getNbTranscripts(), "Handling transcripts", self.verbosity) |
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361 self.outputTranscriptList = TranscriptList() |
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362 for transcript in self.inputTranscriptList.getIterator(): |
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363 result = self.fold(transcript) |
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364 transcript.setTagValue("nbBulges", result[1]) |
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365 transcript.setTagValue("miRnaStar", "%d-%d" % (result[2], result[3])) |
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366 transcript.setTagValue("miRNAstrand", result[4]) |
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367 transcript.setTagValue("energy", self.refold(transcript)) |
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368 self.outputTranscriptList.addTranscript(transcript) |
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369 progress.inc() |
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370 progress.done() |
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371 |
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372 |
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373 def getResults(self): |
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374 """ |
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375 Get an output transcript list with the values |
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376 """ |
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377 if self.outputTranscriptList == None: |
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378 self.computeResults() |
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379 return self.outputTranscriptList |