order_parameter.hpp
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10 
11 #ifndef __ORDER_PARAMETER_H_
12 #define __ORDER_PARAMETER_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 <cage.hpp>
27 #include <mol_sys.hpp>
28 #include <ring.hpp>
29 #include <seams_input.hpp>
30 #include <seams_output.hpp>
31 
32 namespace topoparam {
33 
37 double
39  int nPrisms, double avgPrismHeight);
40 
45  std::vector<std::vector<int>> rings, double sheetArea);
46 
51 
52 } // namespace topoparam
53 
54 #endif // __ORDER_PARAMETER_H_
File for cage types for topological network criteria.
The main molecular system handler.
Topological network criteria functions.
Definition: ring.hpp:60
std::vector< double > projAreaSingleRing(molSys::PointCloud< molSys::Point< double >, double > *yCloud, std::vector< int > ring)
Calculates the projected area on the XY, YZ and XZ planes.
double normHeightPercent(molSys::PointCloud< molSys::Point< double >, double > *yCloud, int nPrisms, double avgPrismHeight)
std::vector< double > calcCoverageArea(molSys::PointCloud< molSys::Point< double >, double > *yCloud, std::vector< std::vector< int >> rings, double sheetArea)
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