MCE - Marching Cube ELD SVN
Crystallographic software for displaying voxel maps - electron density
Brought to you by:
janrohlicek
--- a/Atom.cpp +++ b/Atom.cpp @@ -80,6 +80,12 @@ res += AtFormFactor.a4*exp(-1*AtFormFactor.b4*X); res += AtFormFactor.c; return res; +} +CString Atom::getAtomType(int atnb) +{ + if(atnb<0) return "Q"; + if(atnb>=m_nElementsNumber) return "Q"; + return AtomProperties[atnb].Name; } CString Atom::getAtomType(CString str) {