statistics_chain.hpp File Reference

This file contains the code for statistics on chains. More...

#include "system/System.hpp"
#include <array>

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Functions
std::array< double, 4 >	calc_re (System::System const &system, int chain_start, int chain_length, int n_chains)
	Calculate the end-to-end-distance.
std::array< double, 4 >	calc_rg (System::System const &system, int chain_start, int chain_length, int n_chains)
	Calculate the radius of gyration.
std::array< double, 2 >	calc_rh (System::System const &system, int chain_start, int chain_length, int n_chains)
	Calculate the hydrodynamic radius (ref.

Detailed Description

This file contains the code for statistics on chains.

Definition in file statistics_chain.hpp.

Function Documentation

calc_re()

std::array< double, 4 > calc_re	(	System::System const &	system,
		int	chain_start,
		int	chain_length,
		int	n_chains
	)

Calculate the end-to-end-distance.

Calculates the average end-to-end-distance of a range of monodisperse polymers with continuous ids.

Parameters

system	The system to analyze.
chain_start	The id of the first monomer of the first chain.
n_chains	Number of chains contained in the range.
chain_length	The length of every chain.

Definition at line 101 of file statistics_chain.cpp.

References System::System::box_geo, System::System::cell_structure, comm_cart, and Utils::sqr().

Referenced by ScriptInterface::Analysis::Analysis::do_call_method().

calc_rg()

std::array< double, 4 > calc_rg	(	System::System const &	system,
		int	chain_start,
		int	chain_length,
		int	n_chains
	)

Calculate the radius of gyration.

Calculates the average radius of gyration of a range of monodisperse polymers with continuous ids.

Parameters

system	The system to analyze.
chain_start	The id of the first monomer of the first chain.
n_chains	Number of chains contained in the range.
chain_length	The length of every chain.

Definition at line 133 of file statistics_chain.cpp.

References Utils::Array< T, N >::at(), System::System::box_geo, System::System::cell_structure, comm_cart, and Utils::sqr().

Referenced by ScriptInterface::Analysis::Analysis::do_call_method().

calc_rh()

std::array< double, 2 > calc_rh	(	System::System const &	system,
		int	chain_start,
		int	chain_length,
		int	n_chains
	)

Calculate the hydrodynamic radius (ref.

Kirkwood-Zimm theory).

Calculates the average hydrodynamic radius of a range of monodisperse polymers with continuous ids.

Parameters

system	The system to analyze.
chain_start	The id of the first monomer of the first chain.
n_chains	Number of chains contained in the range.
chain_length	The length of every chain.

Definition at line 197 of file statistics_chain.cpp.

References System::System::box_geo, System::System::cell_structure, comm_cart, and Utils::sqr().

Referenced by ScriptInterface::Analysis::Analysis::do_call_method().