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various.h File Reference

Contains macro definitions. More...

#include "maloc/maloc.h"
#include "apbs/apbs.h"

Go to the source code of this file.

Defines
#define	COULOMB_FACTOR(eps_w)   (Vunit_ec*Vunit_ec/(4.0*1.0e-10*Vunit_pi*Vunit_eps0*eps_w))
	Definition of the pre-factor in Coulomb's law in A*kJ/(mol*'e'). More...
#define	EPS_W   78.36
	Definition of the relative permittivity of pure water (dimensionless). More...
#define	MAX_DISPL   2.0
	Definition of the sidelength of the particle-centered cube, to which moving attempts are restricted (in ). More...
#define	MIN_P_NUMBER   11.0
	Definition of the minimum number of ions of one type to be present within a parametrization simulation. More...
#define	MAX_PROBE_RAD   5.0
	Definition of the maximum probe radius for an accessibility check via the 'vacc'-class (in ).
#define	MIN_ION_RAD   1.5
	Generic ion radius (in ) for volume estimation for PQR-based macromolecules.
#define	VOLUME_CALC_RES   1.0
	Length (in ) of cubic grid cell used for volume estimation of PQR-based macromolecules.
#define	VACCMAXNBOR   20
	Definition of the maximum number of near neighbors for an accessibility operation via the 'gacc'-class.
#define	_TWISTER_INLINES_   1
	Macro to turn on pseudo-inline functions for the 'twister'-"class" (if there were some ...).
#define	_ANALYSIS_INLINES_   1
	Macro to turn on pseudo-inline functions for the 'analysis'-class (if there were some ...).
#define	_SSYSTEM_INLINES_   1
	Macro to turn on pseudo-inline functions for the 'ssystem'-class (if there were some ...).
#define	_PARAMS_INLINES_   1
	Macro to turn on pseudo-inline functions for the 'params'-class (if there were some ...).
#define	_MACROMOLECULE_INLINES_   1
	Macro to turn on pseudo-inline functions for the 'macromolecule'-class (if there were some ...).
#define	_IONLIST_INLINES_   1
	Macro to turn on pseudo-inline functions for the 'ionlist'-class (if there were some ...).
#define	_ENERGY_INLINES_   1
	Macro to turn on pseudo-inline functions for the 'energy'-class (if there were some ...).

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Detailed Description

Contains macro definitions.

This file has no dependencies at all

Version:

Id:

various.h,v 1.5 2002/06/05 00:15:36 apbs Exp

Author:

Andreas Vitalis

Attention:

 *
 * ISIM (simulation of explicit ions in the GCE)
 *
 * 
 * Dept. of Chemistry and Biochemistry
 * University of California, San Diego
 *
 * Additional contributing authors listed in the code documentation.
 *
 * Copyright (c) 1999-2002. The Regents of the University of California 
 *                          (Regents).  All Rights Reserved.
 *
 * Permission to use, copy, modify, and distribute this software and its
 * documentation for educational, research, and not-for-profit purposes,
 * without fee and without a signed licensing agreement, is hereby granted,
 * provided that the above copyright notice, this paragraph and the
 * following two paragraphs appear in all copies, modifications, and
 * distributions.
 *
 * IN NO EVENT SHALL REGENTS BE LIABLE TO ANY PARTY FOR DIRECT, INDIRECT,
 * SPECIAL, INCIDENTAL, OR CONSEQUENTIAL DAMAGES, INCLUDING LOST PROFITS,
 * ARISING OUT OF THE USE OF THIS SOFTWARE AND ITS DOCUMENTATION, EVEN IF
 * REGENTS HAS BEEN ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
 *
 * REGENTS SPECIFICALLY DISCLAIMS ANY WARRANTIES, INCLUDING, BUT NOT
 * LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A
 * PARTICULAR PURPOSE.  THE SOFTWARE AND ACCOMPANYING DOCUMENTATION, IF
 * ANY, PROVIDED HEREUNDER IS PROVIDED "AS IS".  REGENTS HAS NO OBLIGATION
 * TO PROVIDE MAINTENANCE, SUPPORT, UPDATES, ENHANCEMENTS, OR
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 *
 * 

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