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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.
 
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.