diff --git a/util/qbox_distance.py b/util/qbox_distance.py index 13e1e1e..124e892 100755 --- a/util/qbox_distance.py +++ b/util/qbox_distance.py @@ -44,19 +44,19 @@ class QboxOutputHandler(xml.sax.handler.ContentHandler): def endElement(self, name): if name == "atomset": - self.pos1 = self.buffer1.split() - self.pos2 = self.buffer2.split() - self.r1x = float(self.pos1[0]) - self.r1y = float(self.pos1[1]) - self.r1z = float(self.pos1[2]) - self.r2x = float(self.pos2[0]) - self.r2y = float(self.pos2[1]) - self.r2z = float(self.pos2[2]) + pos1 = self.buffer1.split() + pos2 = self.buffer2.split() + r1x = float(pos1[0]) + r1y = float(pos1[1]) + r1z = float(pos1[2]) + r2x = float(pos2[0]) + r2y = float(pos2[1]) + r2z = float(pos2[2]) #print "r1: ",self.r1x,self.r1y,self.r1z #print "r2: ",self.r2x,self.r2y,self.r2z - print '%.4f' % math.sqrt((self.r1x-self.r2x)**2+ - (self.r1y-self.r2y)**2+ - (self.r1z-self.r2z)**2) + print '%.4f' % math.sqrt((r1x-r2x)**2+ + (r1y-r2y)**2+ + (r1z-r2z)**2) elif name == "position": self.readPos1 = 0 self.readPos2 = 0