Re: [Open Babel] How to stringfy a swig matrix object like matrix3*3 in openbabel??

2010-03-30 Thread Tim Vandermeersch
On Tue, Mar 30, 2010 at 11:10 PM, Ning Shen wrote: > Hi, I am using swig wrapper of [openbabel][1](written in C++, and supply a > python wrapper through swig) > > Below i just use it to read a molecule structure file and get the unitcell > property of it. > import pybel > for molecule in pybel.rea

[Open Babel] How to stringfy a swig matrix object like matrix3*3 in openbabel??

2010-03-30 Thread Ning Shen
Hi, I am using swig wrapper of [openbabel][1](written in C++, and supply a python wrapper through swig) Below i just use it to read a molecule structure file and get the unitcell property of it. import pybel for molecule in pybel.readfile('pdb','./test.pdb'): unitcell = molecule.unitcell p

[Open Babel] How to stringfy(print the contents in ascii) of Swig Object of type 'OpenBabel::vector3 *'

2010-03-30 Thread Ning Shen
Hi, I used pybel to read a pdb file and try to print out the unitcell matrix, but i can not print the contents of it. say : from pybel import * for molecule in readfile('pdb','./CONTCAR.pdb'): unitcell = molecule.unitcell print unitcell.GetCellMatrix() |..>

[Open Babel] How to stringfy(print the contents in ascii) of Swig Object of type 'OpenBabel::vector3 *'

2010-03-30 Thread Ning Shen
Hi, Openbabeler, I am using pybel as following : for molecule in readfile('pbd','./CONTCAR.pbd'): -- Download IntelĀ® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, a