ppap4lmp  0.7.2
py_pro_radial_distribution_function.cpp
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1 
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11 {
12  py::class_<ProRadialDistributionFunction,PyProcessor<ProRadialDistributionFunction>,Processor,ShPtr<ProRadialDistributionFunction>>(m, "ProRadialDistributionFunction")
13  .def(py::init<const ElPtr &,const ElPtr &>())
14  .def(py::init<const Vec<std::pair<ElPtr,ElPtr>> &>())
16  .def(
18  py::arg("bin_from_r_") = true)
19  .def(
21  py::arg("beyond_half_") = true)
24  .def("get_rdf_traj", &ProRadialDistributionFunction::get_rdf_traj);
25 }
const Vec< ArrayXd > & get_rdf_traj()
Get a sequence of radial distribution functions as list of one-dimensional arrays.
const ArrayXd & get_rdf()
Get the radial distribution function as a one-dimensional array.
void bin_from_r_to_r_plus_dr(bool bin_from_r_=true)
By default, the bins are [0, 0.5*dr), [0.5*dr, 1.5*dr), ... . If this method is called without a para...
This file is for binding ProRadialDistributionFunction class to Python.
std::vector< T > Vec
Vec is an alias for vector (same as list in Python).
Definition: std.h:27
void py_pro_radial_distribution_function(py::module &m)
Bind ProRadialDistributionFunction class to Python.
const ArrayXd get_r_axis()
Get a one-dimensional array of distance, [0, dr, 2*dr, ... ], where dr is width of a bin...
Processor analyzes data contained in one or more Generator objects.
Definition: processor.h:18
void beyond_half_box_length(bool beyond_half_=true)
Use a sample including particles of which distance from a reference particle are larger than half the...
std::shared_ptr< T > ShPtr
ShPtr is an alias for shared pointer.
Definition: std.h:16
void set_bin(double bin_width_, int n_bins_)
Set width and number of bins in the distance axis. Each bin is a spherical shell of which center is p...