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structure_analysis.hh File Reference
#include <ost/mol/alg/module_config.hh>
#include <ost/mol/entity_view.hh>
#include <ost/mol/entity_handle.hh>

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Namespaces

 ost
 
 ost::mol
 
 ost::mol::alg
 

Functions

geom::Vec3List
DLLEXPORT_OST_MOL_ALG 
GetPosListFromView (const EntityView &view)
 
void DLLEXPORT_OST_MOL_ALG WrapEntityInPeriodicCell (EntityHandle eh, const geom::Vec3 cell_center, const geom::Vec3 ucell_size, const geom::Vec3 ucell_angles=geom::Vec3(), bool group_res=true, bool follow_bond=true)
 
std::vector< std::vector< Real >
> DLLEXPORT_OST_MOL_ALG 
PariwiseDistanceMatrix (const EntityView &view1, const EntityView &view2)
 
std::vector< std::vector< Real >
> DLLEXPORT_OST_MOL_ALG 
PariwiseDistanceMatrix (const EntityView &view)