prism3 Namespace Reference

Functions

int findBulkPrisms (std::vector< std::vector< int >> rings, std::vector< ring::strucType > *ringType, std::vector< std::vector< int >> nList, molSys::PointCloud< molSys::Point< double >, double > *yCloud, std::vector< double > *rmsdPerAtom, double heightCutoff=8)
 Find out which rings are prisms. More...
 
bool basalPrismConditions (std::vector< std::vector< int >> nList, std::vector< int > *basal1, std::vector< int > *basal2)
 
bool relaxedPrismConditions (std::vector< std::vector< int >> nList, std::vector< int > *basal1, std::vector< int > *basal2)
 
bool basalRingsSeparation (molSys::PointCloud< molSys::Point< double >, double > *yCloud, std::vector< int > basal1, std::vector< int > basal2, double heightCutoff=8)
 Check to see that candidate basal prisms are not really far from each other. More...