Bugs item #3126901, was opened at 2010-12-03 15:18
Message generated for change (Tracker Item Submitted) made by igor_filippov
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Category: Documentation
Group: 2.3.x
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Igor (igor_filippov)
Assigned to: Nobody/Anonymous (nobody)
Summary: FOR_ATOMS_OF_MOL is not working as described
Initial Comment:
The example given on the documentation page for OBMol is not working.
The error is: ‘OBMolAtomIter’ was not declared in this scope. This is because
OBMolAtomIter in the FOR_ATOMS_OF_MOL should
really be OpenBabel::OBMolAtomIter. One can of course use "using namespace
OpenBabel" but I think it's still a bug.
#include <openbabel/obiter.h>
#include <openbabel/mol.h>
OBMol mol;
double exactMass = 0.0;
FOR_ATOMS_OF_MOL(a, mol)
{
exactMass += a->GetExactMass();
}
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