topo_one_dim.hpp File Reference

File containing functions used specific to quasi-one-dimensional topological network critera (the prism identification scheme). More...

#include <math.h>
#include <sys/stat.h>
#include <algorithm>
#include <array>
#include <fstream>
#include <iostream>
#include <iterator>
#include <memory>
#include <sstream>
#include <string>
#include <vector>
#include <mol_sys.hpp>
#include <order_parameter.hpp>
#include <ring.hpp>
#include <seams_input.hpp>
#include <seams_output.hpp>
#include <shapeMatch.hpp>

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Namespaces
	ring
	Topological network criteria functions.

Functions
std::vector< int >	ring::findPrisms (std::vector< std::vector< int >> rings, std::vector< strucType > *ringType, int *nPerfectPrisms, int *nImperfectPrisms, std::vector< std::vector< int >> nList, molSys::PointCloud< molSys::Point< double >, double > *yCloud, std::vector< double > *rmsdPerAtom, bool doShapeMatching=false)
bool	ring::basalPrismConditions (std::vector< std::vector< int >> nList, std::vector< int > *basal1, std::vector< int > *basal2)
bool	ring::relaxedPrismConditions (std::vector< std::vector< int >> nList, std::vector< int > *basal1, std::vector< int > *basal2)
bool	ring::discardExtraTetragonBlocks (std::vector< int > *basal1, std::vector< int > *basal2, molSys::PointCloud< molSys::Point< double >, double > *yCloud)
std::vector< std::vector< int > >	ring::keepAxialRingsOnly (std::vector< std::vector< int >> rings, molSys::PointCloud< molSys::Point< double >, double > *yCloud)
	Saves only axial rings out of all possible rings. More...
int	ring::prismAnalysis (std::string path, std::vector< std::vector< int >> rings, std::vector< std::vector< int >> nList, molSys::PointCloud< molSys::Point< double >, double > *yCloud, int maxDepth, int *atomID, int firstFrame, int currentFrame, bool doShapeMatching=false)
int	ring::assignPrismType (std::vector< std::vector< int >> rings, std::vector< int > listPrism, int ringSize, std::vector< ring::strucType > ringType, std::vector< int > *atomTypes, std::vector< ring::strucType > *atomState)
int	ring::deformedPrismTypes (std::vector< ring::strucType > atomState, std::vector< int > *atomTypes, int maxDepth)
	Get the atom type values for deformed prisms. More...
int	ring::rmAxialTranslations (molSys::PointCloud< molSys::Point< double >, double > *yCloud, int *atomID, int firstFrame, int currentFrame)
	Shift the entire ice nanotube and remove axial translations. More...

Detailed Description

File containing functions used specific to quasi-one-dimensional topological network critera (the prism identification scheme).

Definition in file topo_one_dim.hpp.