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| class splitStreams(): | |
| def __init__(self, deletedPocketdict,splitdict): | |
| self.deletedPocketdict = deletedPocketdict | |
| self.splitdict = splitdict | |
| def splitHotandCold(self): | |
| self.splitHotTemperatures = [] | |
| self.splitColdTemperatures = [] | |
| self.splitHotH = [] | |
| self.splitColdH = [] | |
| testHot = 0 | |
| testCold = 0 | |
| for i in range(len(self.deletedPocketdict['T'])): | |
| for j in range(len(self.deletedPocketdict['T'][i])): | |
| if j >= len(self.deletedPocketdict['deltaH'][i]): | |
| continue | |
| if self.deletedPocketdict['deltaH'][i][j] > 0 and testHot == 0: | |
| self.splitHotTemperatures.append(self.deletedPocketdict['T'][i][j]) | |
| self.splitHotH.append(self.deletedPocketdict['H'][i][j]) | |
| self.splitHotTemperatures.append(self.deletedPocketdict['T'][i][j+1]) | |
| self.splitHotH.append(self.deletedPocketdict['H'][i][j+1]) | |
| testHot = 1 | |
| elif self.deletedPocketdict['deltaH'][i][j] > 0 and testHot == 1: | |
| if j == len(self.deletedPocketdict['deltaH'][i])-1: | |
| self.splitHotTemperatures.append(self.deletedPocketdict['T'][i][j+1]) | |
| self.splitHotH.append(self.deletedPocketdict['H'][i][j+1]) | |
| elif self.deletedPocketdict['deltaH'][i][j+1] < 0: | |
| self.splitHotTemperatures.append(self.deletedPocketdict['T'][i][j]) | |
| self.splitHotH.append(self.splitHotH[-1]) | |
| self.splitHotTemperatures.append(self.deletedPocketdict['T'][i][j+1]) | |
| self.splitHotH.append(self.splitHotH[-1] + self.deletedPocketdict['deltaH'][i][j])# Anpassen | |
| else: | |
| self.splitHotTemperatures.append(self.deletedPocketdict['T'][i][j+1]) | |
| self.splitHotH.append(self.deletedPocketdict['H'][i][j+1]) | |
| elif self.deletedPocketdict['deltaH'][i][j] < 0 and testCold == 0: | |
| self.splitColdTemperatures.append(self.deletedPocketdict['T'][i][j]) | |
| self.splitColdH.append(self.deletedPocketdict['H'][i][j]) | |
| self.splitColdTemperatures.append(self.deletedPocketdict['T'][i][j+1]) | |
| self.splitColdH.append(self.deletedPocketdict['H'][i][j+1]) | |
| testCold = 1 | |
| elif self.deletedPocketdict['deltaH'][i][j] < 0 and testCold == 1: | |
| if j == len(self.deletedPocketdict['deltaH'][i])-1: | |
| if self.splitColdH[-1] < 0: | |
| self.splitColdTemperatures.append(self.deletedPocketdict['T'][i][j+1]) | |
| self.splitColdH.append(self.deletedPocketdict['deltaH'][i][j] + self.splitColdH[-1]) | |
| else: | |
| self.splitColdTemperatures.append(self.deletedPocketdict['T'][i][j+1]) | |
| self.splitColdH.append(self.deletedPocketdict['H'][i][j+1]) | |
| elif self.deletedPocketdict['deltaH'][i][j+1] > 0 or self.deletedPocketdict['deltaH'][i][j-1]: | |
| self.splitColdTemperatures.append(self.deletedPocketdict['T'][i][j]) | |
| self.splitColdH.append(self.splitColdH[-1]) | |
| self.splitColdTemperatures.append(self.deletedPocketdict['T'][i][j+1]) | |
| self.splitColdH.append(self.deletedPocketdict['deltaH'][i][j] + self.splitColdH[-1])# Anpassen | |
| else: | |
| if self.splitColdH[-1] < 0: | |
| self.splitColdTemperatures.append(self.deletedPocketdict['T'][i][j+1]) | |
| self.splitColdH.append(self.deletedPocketdict['deltaH'][i][j] + self.splitColdH[-1]) | |
| else: | |
| self.splitColdTemperatures.append(self.deletedPocketdict['T'][i][j+1]) | |
| self.splitColdH.append(self.deletedPocketdict['H'][i][j+1]) | |
| elif self.deletedPocketdict['deltaH'][i][j] == 0: | |
| if self.deletedPocketdict['deltaH'][i][j-1] < 0: | |
| self.splitColdTemperatures.append(self.deletedPocketdict['T'][i][j+1]) | |
| self.splitColdH.append(self.deletedPocketdict['H'][i][j+1]) | |
| elif self.deletedPocketdict['deltaH'][i][j-1] > 0: | |
| self.splitHotTemperatures.append(self.deletedPocketdict['T'][i][j+1]) | |
| self.splitHotH.append(self.deletedPocketdict['H'][i][j+1]) | |
| else: | |
| pass | |
| else: | |
| pass | |
| self.splitColddeltaH = [] | |
| self.splitHotdeltaH = [] | |
| for i in range(len(self.splitColdH)-1): | |
| self.splitColddeltaH.append(self.splitColdH[i+1]-self.splitColdH[i]) | |
| for i in range(len(self.splitHotH)-1): | |
| self.splitHotdeltaH.append(self.splitHotH[i+1]-self.splitHotH[i]) | |
| self.splitHotTemperatures | |
| #self.splitHotH.sort(reverse=True) | |
| self.splitHotdeltaH | |
| self.splitColdTemperatures | |
| self.splitColdH | |
| self.splitColddeltaH | |
| self.splitdict['HotTemperatures'].append(self.splitHotTemperatures) | |
| self.splitdict['HotH'].append(self.splitHotH) | |
| self.splitdict['HotdeltaH'].append(self.splitHotdeltaH) | |
| self.splitdict['ColdTemperatures'].append(self.splitColdTemperatures) | |
| self.splitdict['ColdH'].append(self.splitColdH) | |
| self.splitdict['ColddeltaH'].append(self.splitColddeltaH) | |
| return self.splitdict |