selection.hpp File Reference

File containing functions used to define 'selections' in a given range, using ring information. 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>

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Namespaces
	gen
	Small generic functions that are shared by all namespaces.
	ring
	Topological network criteria functions.

Functions
molSys::PointCloud< molSys::Point< double >, double >	gen::getPointCloudOneAtomType (molSys::PointCloud< molSys::Point< double >, double > *yCloud, molSys::PointCloud< molSys::Point< double >, double > *outCloud, int atomTypeI, bool isSlice=false, std::array< double, 3 > coordLow=std::array< double, 3 >{0, 0, 0}, std::array< double, 3 > coordHigh=std::array< double, 3 >{0, 0, 0})
void	gen::moleculesInSingleSlice (molSys::PointCloud< molSys::Point< double >, double > *yCloud, bool clearPreviousSliceSelection=true, std::array< double, 3 > coordLow=std::array< double, 3 >{0, 0, 0}, std::array< double, 3 > coordHigh=std::array< double, 3 >{0, 0, 0})
void	gen::atomsInSingleSlice (molSys::PointCloud< molSys::Point< double >, double > *yCloud, bool clearPreviousSliceSelection=true, std::array< double, 3 > coordLow=std::array< double, 3 >{0, 0, 0}, std::array< double, 3 > coordHigh=std::array< double, 3 >{0, 0, 0})
void	gen::setAtomsWithSameMolID (molSys::PointCloud< molSys::Point< double >, double > *yCloud, std::unordered_multimap< int, int > molIDAtomIDmap, int molID, bool inSliceValue=true)
void	ring::getEdgeMoleculesInRings (std::vector< std::vector< int >> rings, molSys::PointCloud< molSys::Point< double >, double > *oCloud, molSys::PointCloud< molSys::Point< double >, double > *yCloud, std::array< double, 3 > coordLow, std::array< double, 3 > coordHigh, bool identicalCloud=false)
void	ring::printSliceGetEdgeMoleculesInRings (std::string path, std::vector< std::vector< int >> rings, molSys::PointCloud< molSys::Point< double >, double > *oCloud, molSys::PointCloud< molSys::Point< double >, double > *yCloud, std::array< double, 3 > coordLow, std::array< double, 3 > coordHigh, bool identicalCloud=false)

Detailed Description

File containing functions used to define 'selections' in a given range, using ring information.

Definition in file selection.hpp.