drawTopicModel.py 文件源码

def drawMolsByTopic(topicModel, topicIdx, idsLabelToShow=[0], topicProbThreshold = 0.5, baseRad=0.5, molSize=(250,150),\
                    numRowsShown=3, color=(.0,.0, 1.), maxMols=100):
    result = generateMoleculeSVGsbyTopicIdx(topicModel, topicIdx, idsLabelToShow=idsLabelToShow, \
                                             topicProbThreshold = topicProbThreshold, baseRad=baseRad,\
                                             molSize=molSize,color=color, maxMols=maxMols)
    if len(result)  == 1:
        print(result)
        return

    svgs, namesSVGs = result
    finalsvgs = []
    for svg in svgs:
        # make the svg scalable
        finalsvgs.append(svg.replace('<svg','<svg preserveAspectRatio="xMinYMin meet" viewBox="0 0 '+str(molSize[0])\
                                     +' '+str(molSize[1])+'"'))

    tableHeader = 'Molecules in topic '+str(topicIdx)+' (sorted by decending probability)'

    return display(HTML(utilsDrawing.drawSVGsToHTMLGrid(finalsvgs[:maxMols],cssTableName='overviewTab',tableHeader=tableHeader,\
                                                 namesSVGs=namesSVGs[:maxMols], size=molSize, numRowsShown=numRowsShown, numColumns=4)))

# produces a svg grid of the molecules belonging to a certain topic and highlights this topic within the molecules