statistics_chain_tcl.c File Reference

#include "statistics.h"
#include "parser.h"
#include "statistics_chain.h"

Include dependency graph for statistics_chain_tcl.c:

Go to the source code of this file.

Functions
int	tclcommand_analyze_set_parse_chain_topology (Tcl_Interp *interp, int argc, char **argv)
static int	tclcommand_analyze_set_parse_chain_topology_check (Tcl_Interp *interp, int argc, char **argv)
	this function scans the arguments for a description of the chain structure, i.e.
int	tclcommand_analyze_parse_re (Tcl_Interp *interp, int average, int argc, char **argv)
int	tclcommand_analyze_parse_rg (Tcl_Interp *interp, int average, int argc, char **argv)
int	tclcommand_analyze_parse_rh (Tcl_Interp *interp, int average, int argc, char **argv)
int	tclcommand_analyze_parse_internal_dist (Tcl_Interp *interp, int average, int argc, char **argv)
int	tclcommand_analyze_parse_bond_l (Tcl_Interp *interp, int average, int argc, char **argv)
int	tclcommand_analyze_parse_bond_dist (Tcl_Interp *interp, int average, int argc, char **argv)
int	tclcommand_analyze_parse_g123 (Tcl_Interp *interp, int average, int argc, char **argv)
int	tclcommand_analyze_parse_g_av (Tcl_Interp *interp, int what, int argc, char **argv)
int	tclcommand_analyze_parse_formfactor (Tcl_Interp *interp, int average, int argc, char **argv)
int	tclcommand_analyze_parse_rdfchain (Tcl_Interp *interp, int argc, char **argv)
int	tclcommand_analyze_parse_cwvac (Tcl_Interp *interp, int argc, char **argv)

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Function Documentation

int tclcommand_analyze_parse_bond_dist	(	Tcl_Interp *	interp,
		int	average,
		int	argc,
		char **	argv
	)

Definition at line 221 of file statistics_chain_tcl.c.

References ARG_IS_I, ARG_IS_S, calc_bond_dist(), calc_bond_dist_av(), chain_length, free, i, n_configs, and tclcommand_analyze_set_parse_chain_topology_check().

Referenced by tclcommand_analyze().

int tclcommand_analyze_parse_bond_l	(	Tcl_Interp *	interp,
		int	average,
		int	argc,
		char **	argv
	)

Definition at line 201 of file statistics_chain_tcl.c.

References calc_bond_l(), calc_bond_l_av(), free, n_configs, and tclcommand_analyze_set_parse_chain_topology_check().

Referenced by tclcommand_analyze().

int tclcommand_analyze_parse_cwvac	(	Tcl_Interp *	interp,
		int	argc,
		char **	argv
	)

Definition at line 437 of file statistics_chain_tcl.c.

References analyze_cwvac(), ARG0_IS_I, ARG1_IS_I, chain_length, chain_n_chains, free, i, tclcommand_analyze_set_parse_chain_topology_check(), updatePartCfg(), and WITHOUT_BONDS.

Referenced by tclcommand_analyze().

int tclcommand_analyze_parse_formfactor	(	Tcl_Interp *	interp,
		int	average,
		int	argc,
		char **	argv
	)

Definition at line 330 of file statistics_chain_tcl.c.

References analyze_formfactor(), analyze_formfactor_av(), ARG0_IS_D, ARG1_IS_D, ARG_IS_I, chain_length, chain_n_chains, free, i, n_configs, and tclcommand_analyze_set_parse_chain_topology_check().

Referenced by tclcommand_analyze().

int tclcommand_analyze_parse_g123	(	Tcl_Interp *	interp,
		int	average,
		int	argc,
		char **	argv
	)

Definition at line 260 of file statistics_chain_tcl.c.

References ARG0_IS_S, calc_g123(), chain_n_chains, init_g123(), n_chains_g, n_part_g, n_total_particles, partCM_g, partCoord_g, and tclcommand_analyze_set_parse_chain_topology_check().

Referenced by tclcommand_analyze().

int tclcommand_analyze_parse_g_av	(	Tcl_Interp *	interp,
		int	what,
		int	argc,
		char **	argv
	)

Definition at line 289 of file statistics_chain_tcl.c.

References ARG0_IS_S, ARG_IS_D, calc_g1_av(), calc_g2_av(), calc_g3_av(), free, i, n_configs, and tclcommand_analyze_set_parse_chain_topology_check().

Referenced by tclcommand_analyze().

int tclcommand_analyze_parse_internal_dist	(	Tcl_Interp *	interp,
		int	average,
		int	argc,
		char **	argv
	)

Definition at line 172 of file statistics_chain_tcl.c.

References calc_internal_dist(), calc_internal_dist_av(), chain_length, free, i, n_configs, and tclcommand_analyze_set_parse_chain_topology_check().

Referenced by tclcommand_analyze().

int tclcommand_analyze_parse_rdfchain	(	Tcl_Interp *	interp,
		int	argc,
		char **	argv
	)

Definition at line 383 of file statistics_chain_tcl.c.

References analyze_rdfchain(), ARG0_IS_D, ARG1_IS_D, ARG_IS_I, chain_length, chain_n_chains, free, i, tclcommand_analyze_set_parse_chain_topology_check(), updatePartCfg(), and WITHOUT_BONDS.

Referenced by tclcommand_analyze().

int tclcommand_analyze_parse_re	(	Tcl_Interp *	interp,
		int	average,
		int	argc,
		char **	argv
	)

Definition at line 81 of file statistics_chain_tcl.c.

References calc_re(), calc_re_av(), free, n_configs, and tclcommand_analyze_set_parse_chain_topology_check().

Referenced by tclcommand_analyze().

int tclcommand_analyze_parse_rg	(	Tcl_Interp *	interp,
		int	average,
		int	argc,
		char **	argv
	)

Definition at line 113 of file statistics_chain_tcl.c.

References calc_rg(), calc_rg_av(), free, n_configs, and tclcommand_analyze_set_parse_chain_topology_check().

Referenced by tclcommand_analyze().

int tclcommand_analyze_parse_rh	(	Tcl_Interp *	interp,
		int	average,
		int	argc,
		char **	argv
	)

Definition at line 142 of file statistics_chain_tcl.c.

References calc_rh(), calc_rh_av(), free, n_configs, and tclcommand_analyze_set_parse_chain_topology_check().

Referenced by tclcommand_analyze().

int tclcommand_analyze_set_parse_chain_topology	(	Tcl_Interp *	interp,
		int	argc,
		char **	argv
	)

Definition at line 33 of file statistics_chain_tcl.c.

References ARG0_IS_I, ARG1_IS_I, ARG_IS_I, chain_length, chain_n_chains, chain_start, i, n_molecules, part, realloc_intlist(), realloc_topology(), topology, and Molecule::type.

Referenced by tclcommand_analyze_parse_set(), and tclcommand_analyze_set_parse_chain_topology_check().

static int tclcommand_analyze_set_parse_chain_topology_check	(	Tcl_Interp *	interp,
		int	argc,
		char **	argv
	)		[static]

this function scans the arguments for a description of the chain structure, i.e.

start of chains, number of chains and chain length. Since this structure requires the particles to be sorted, this is performed, too.

Definition at line 66 of file statistics_chain_tcl.c.

References sortPartCfg(), and tclcommand_analyze_set_parse_chain_topology().

Referenced by tclcommand_analyze_parse_bond_dist(), tclcommand_analyze_parse_bond_l(), tclcommand_analyze_parse_cwvac(), tclcommand_analyze_parse_formfactor(), tclcommand_analyze_parse_g123(), tclcommand_analyze_parse_g_av(), tclcommand_analyze_parse_internal_dist(), tclcommand_analyze_parse_rdfchain(), tclcommand_analyze_parse_re(), tclcommand_analyze_parse_rg(), and tclcommand_analyze_parse_rh().