topo_one_dim.hpp File Reference

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

#include <cmath>
#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>

Go to the source code of this file.

Namespaces
namespace	ring
	Topological network criteria functions.

Functions
std::vector< int >	ring::findPrisms (const std::vector< std::vector< int > > &rings, std::vector< strucType > &ringType, int &nPerfectPrisms, int &nImperfectPrisms, const std::vector< std::vector< int > > &nList, molSys::PointCloud< molSys::Point< double >, double > &yCloud, std::vector< double > &rmsdPerAtom, bool doShapeMatching=false)
bool	ring::basalPrismConditions (const std::vector< std::vector< int > > &nList, std::vector< int > &basal1, std::vector< int > &basal2)
bool	ring::relaxedPrismConditions (const 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 (const std::vector< std::vector< int > > &rings, molSys::PointCloud< molSys::Point< double >, double > &yCloud)
	Saves only axial rings out of all possible rings.
int	ring::prismAnalysis (std::string path, const std::vector< std::vector< int > > &rings, const 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 (const std::vector< std::vector< int > > &rings, const std::vector< int > &listPrism, int ringSize, const std::vector< ring::strucType > &ringType, std::vector< int > &atomTypes, std::vector< ring::strucType > &atomState)
int	ring::deformedPrismTypes (const std::vector< ring::strucType > &atomState, std::vector< int > &atomTypes, int maxDepth)
	Get the atom type values for deformed prisms.
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.

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.