[Kalzium] Kalzium ported to Avogadro 0.6.1

Carsten Niehaus cniehaus at gmx.de
Sun Apr 6 16:41:16 CEST 2008


Moin

> Time for sleep but I would appreciate feedback. Hopefully it compiles OK
> for everyone and works properly. It does here on my Gentoo desktop with
> recent KDE trunk and GCC 4.2.3.

In file included 
from /home/kdesvn/kdeedu/kalzium/libavogadro-kalzium/src/residuecolor.cpp:25:
/home/kdesvn/kdeedu/kalzium/libavogadro-kalzium/include/avogadro/../../src/color.h:80: 
avís: ‘virtual void Avogadro::Color::set(GLfloat, GLfloat, GLfloat, 
GLfloat)’ was hidden
/home/kdesvn/kdeedu/kalzium/libavogadro-kalzium/src/residuecolor.h:48: avís:   
by ‘virtual void Avogadro::ResidueColor::set(const 
Avogadro::Primitive*)’
/home/kdesvn/kdeedu/kalzium/libavogadro-kalzium/src/residuecolor.cpp: In 
member function ‘virtual void Avogadro::ResidueColor::set(const 
Avogadro::Primitive*)’:
/home/kdesvn/kdeedu/kalzium/libavogadro-kalzium/src/residuecolor.cpp:54: 
error: no matching function for call to 
‘Avogadro::Atom::GetResidue(bool)’
/usr/include/openbabel-2.0/openbabel/atom.h:266: note: candidates are: 
OpenBabel::OBResidue* OpenBabel::OBAtom::GetResidue()



We need OpenBabel 2.2 which is not yet released. Albert ran into this issue. 
We now increased the required version to 2.2 in the cmake check. Let us hope 
that OB 2.2 will be released soon.

Carsten
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