def testMultipleCalcs(self): " testing calculation of multiple descriptors " for i in xrange(len(self.cExprs)): cExpr= self.cExprs[i] argVect = self.piece1 + [cExpr] res = Parser.CalcMultipleCompoundsDescriptor([self.compos,self.compos],argVect, self.aDict,[self.pDict,self.pDict]) self.assertAlmostEqual(res[0],self.results[i],2) self.assertAlmostEqual(res[1],self.results[i],2)
def testMultipleCalcs(self): " testing calculation of multiple descriptors " for i in xrange(len(self.cExprs)): cExpr = self.cExprs[i] argVect = self.piece1 + [cExpr] res = Parser.CalcMultipleCompoundsDescriptor( [self.compos, self.compos], argVect, self.aDict, [self.pDict, self.pDict]) assert abs(res[0] - self.results[i] ) < self.tol, 'Expression %s failed' % (cExpr) assert abs(res[1] - self.results[i] ) < self.tol, 'Expression %s failed' % (cExpr)