gmx::test::anonymous_namespace{mtop.cpp} Namespace Reference

Functions
std::vector< gmx::Range< int > >	createTwoResidueTopology (gmx_mtop_t *mtop)
	Creates dummy topology with two differently sized residues. More...
void	addIntermolecularInteractionBonds (gmx_mtop_t *mtop)
	Adds intermolecular bonds, assuming atoms 0 to 5 exist.
void	addEthane (gmx_mtop_t *mtop)
	Add an ethane molecule with uniform charges on all atoms and states.

Function Documentation

std::vector<gmx::Range<int> > gmx::test::anonymous_namespace{mtop.cpp}::createTwoResidueTopology

(

gmx_mtop_t *

mtop

)

Creates dummy topology with two differently sized residues.

Residue begin and end are set to allow checking routines that make use of the boundaries.

Returns

The residue ranges.