ppap4lmp  0.7.2
py_pro_radial_distribution_function_with_deformation.cpp
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1 
8 #include "py_pro_radial_distribution_function_with_deformation.h"
9 
10 void pybind::py_pro_radial_distribution_function_with_deformation(py::module &m)
11 {
12  py::class_<ProRadialDistributionFunctionWithDeformation,PyProcessor<ProRDFWD>,ProRDF,Processor,ShPtr<ProRDFWD>>(m, "ProRadialDistributionFunctionWithDeformation")
13  .def(py::init<const ElPtr &,const ElPtr &>())
14  .def(py::init<const Vec<std::pair<ElPtr,ElPtr>> &>())
15  .def("set_margin", &ProRDFWD::set_margin)
16  .def("get_gyration_radius", &ProRDFWD::get_gyration_radius)
17  .def("get_gyration_radius_traj",&ProRDFWD::get_gyration_radius_traj)
18  .def(
19  "get_squared_gyration_radius",
20  &ProRDFWD::get_squared_gyration_radius)
21  .def(
22  "get_squared_gyration_radius_traj",
23  &ProRDFWD::get_squared_gyration_radius_traj);
24 }
py_pro_radial_distribution_function_with_deformation.h
This file is for binding ProRadialDistributionFunctionWithDeformation class to Python.
ProRadialDistributionFunctionWithDeformation::get_squared_gyration_radius_traj
Map< Str, Vec< ArrayXd > > get_squared_gyration_radius_traj()
Get list of temporary square of gyration radius as function of distance from a reference particle...
Definition: pro_radial_distribution_function_with_deformation.cpp:355
ProRadialDistributionFunctionWithDeformation::set_margin
void set_margin(double margin_)
Set margin for distance from a reference particle: this program uses a sample including particles of ...
Definition: pro_radial_distribution_function_with_deformation.cpp:297
ProRadialDistributionFunctionWithDeformation::get_squared_gyration_radius
Map< Str, ArrayXd > get_squared_gyration_radius()
Get averaged square of gyration radius as function of distance from a reference particle. The returned value is dictionary of which keys are isotropic, parallel and perpendicular, and corresponding values are function for general gyration radius, gyration radius in* the particle-to-particle axis and gyration radius around* the particle-to-particle axis, respectively.
Definition: pro_radial_distribution_function_with_deformation.cpp:345
ProRadialDistributionFunctionWithDeformation::get_gyration_radius
Map< Str, ArrayXd > get_gyration_radius()
Get averaged gyration radius as function of distance from a reference particle. The returned value is...
Definition: pro_radial_distribution_function_with_deformation.cpp:305
Vec
std::vector< T > Vec
Vec is an alias for vector (same as list in Python).
Definition: std.h:27
pybind::py_pro_radial_distribution_function_with_deformation
void py_pro_radial_distribution_function_with_deformation(py::module &m)
Bind ProRadialDistributionFunctionWithDeformation class to Python.
Definition: py_pro_radial_distribution_function_with_deformation.cpp:10
Processor
Processor analyzes data contained in one or more Generator objects.
Definition: processor.h:18
ProRadialDistributionFunctionWithDeformation::get_gyration_radius_traj
Map< Str, Vec< ArrayXd > > get_gyration_radius_traj()
Get list of temporary gyration radius as function of distance from a reference particle. The returned value is dictionary of which keys are isotropic, parallel and perpendicular, and corresponding values are lists of functions for general gyration radius, gyration radius in* the particle-to-particle axis and gyration radius around* the particle-to-particle axis, respectively. Each element of the lists corresponds to each snapshot of the simulation.
Definition: pro_radial_distribution_function_with_deformation.cpp:315
ProRDF
ProRadialDistributionFunction ProRDF
ProRDF is an alias for ProRadialDistributionFunction class.
Definition: pro_radial_distribution_function_with_deformation.h:15
ShPtr
std::shared_ptr< T > ShPtr
ShPtr is an alias for shared pointer.
Definition: std.h:16