rdf2d.hpp
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10 
11 #ifndef __RDF2D_H_
12 #define __RDF2D_H_
13 
14 #include <algorithm>
15 #include <array>
16 #include <fstream>
17 #include <iostream>
18 #include <iterator>
19 #include <math.h>
20 #include <memory>
21 #include <sstream>
22 #include <string>
23 #include <sys/stat.h>
24 #include <vector>
25 
26 #include <mol_sys.hpp>
27 #include <order_parameter.hpp>
28 #include <ring.hpp>
29 #include <seams_input.hpp>
30 #include <seams_output.hpp>
31 
80 namespace rdf2 {
81 
86  double cutoff, double binwidth, int firstFrame,
87  int finalFrame);
88 
92  double cutoff, double binwidth, int nbin);
93 
95 int normalizeRDF(int nopA, std::vector<double> *rdfValues,
96  std::vector<int> histogram, double binwidth, int nbin,
97  std::vector<double> volumeLengths, int nIter);
98 
102 
104 double getPlaneArea(std::vector<double> volumeLengths);
105 
106 } // namespace rdf2
107 
108 #endif // __RDF2D_H_
std::vector< double > getSystemLengths(molSys::PointCloud< molSys::Point< double >, double > *yCloud)
Gets the lengths of the volume slice of the quasi-two-dimensional system.
Definition: rdf2d.cpp:208
std::vector< int > sampleRDF_AA(molSys::PointCloud< molSys::Point< double >, double > *yCloud, double cutoff, double binwidth, int nbin)
Samples the RDF histogram at every step.
Definition: rdf2d.cpp:111
double getPlaneArea(std::vector< double > volumeLengths)
Gets the plane area from the volume lengths vector.
Definition: rdf2d.cpp:260
int rdf2Danalysis_AA(std::string path, std::vector< double > *rdfValues, molSys::PointCloud< molSys::Point< double >, double > *yCloud, double cutoff, double binwidth, int firstFrame, int finalFrame)
Definition: rdf2d.cpp:41
int normalizeRDF(int nopA, std::vector< double > *rdfValues, std::vector< int > histogram, double binwidth, int nbin, std::vector< double > volumeLengths, int nIter)
Normalize the histogram.
Definition: rdf2d.cpp:158
The main molecular system handler.
Defines RDF-specific functions.
Definition: rdf2d.hpp:80
File containing common functions used by bulk and confined topological network critera.
File for functions that read in files).
This contains a collection of points; contains information for a particular frame.
Definition: mol_sys.hpp:166
This contains per-particle information.
Definition: mol_sys.hpp:145