/*
- *
- * This source code is part of
- *
- * G R O M A C S
- *
- * GROningen MAchine for Chemical Simulations
- *
- * VERSION 3.2.0
- * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * This file is part of the GROMACS molecular simulation package.
+ *
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
- * Copyright (c) 2001-2004, The GROMACS development team,
- * check out http://www.gromacs.org for more information.
-
- * This program is free software; you can redistribute it and/or
- * modify it under the terms of the GNU General Public License
- * as published by the Free Software Foundation; either version 2
+ * Copyright (c) 2001-2004, The GROMACS development team.
+ * Copyright (c) 2013,2014, by the GROMACS development team, led by
+ * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
+ * and including many others, as listed in the AUTHORS file in the
+ * top-level source directory and at http://www.gromacs.org.
+ *
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
* of the License, or (at your option) any later version.
- *
- * If you want to redistribute modifications, please consider that
- * scientific software is very special. Version control is crucial -
- * bugs must be traceable. We will be happy to consider code for
- * inclusion in the official distribution, but derived work must not
- * be called official GROMACS. Details are found in the README & COPYING
- * files - if they are missing, get the official version at www.gromacs.org.
- *
+ *
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
+ *
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
+ *
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
+ *
* To help us fund GROMACS development, we humbly ask that you cite
- * the papers on the package - you can find them in the top README file.
- *
- * For more info, check our website at http://www.gromacs.org
- *
- * And Hey:
- * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
+ * the research papers on the package. Check out http://www.gromacs.org.
*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
#include <stdio.h>
#include <stdarg.h>
-#include "sysstuff.h"
-#include "smalloc.h"
-#include "macros.h"
-#include "string2.h"
-#include "gmx_fatal.h"
+#include "gromacs/utility/smalloc.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/utility/cstringutil.h"
+#include "gromacs/utility/fatalerror.h"
#include "topdirs.h"
-int ifunc_index(directive d,int type)
+/* Must correspond to the directive enum in grompp-impl.h */
+static const char *directive_names[d_maxdir+1] = {
+ "defaults",
+ "atomtypes",
+ "bondtypes",
+ "constrainttypes",
+ "pairtypes",
+ "angletypes",
+ "dihedraltypes",
+ "nonbond_params",
+ "implicit_genborn_params",
+ "implicit_surface_params",
+ "cmaptypes",
+ /* All the directives above can not appear after moleculetype */
+ "moleculetype",
+ "atoms",
+ "virtual_sites2",
+ "virtual_sites3",
+ "virtual_sites4",
+ "virtual_sitesn",
+ "bonds",
+ "exclusions",
+ "pairs",
+ "pairs_nb",
+ "angles",
+ "dihedrals",
+ "constraints",
+ "settles",
+ "polarization",
+ "water_polarization",
+ "thole_polarization",
+ "system",
+ "molecules",
+ "position_restraints",
+ "angle_restraints",
+ "angle_restraints_z",
+ "distance_restraints",
+ "orientation_restraints",
+ "dihedral_restraints",
+ "cmap",
+ "invalid"
+};
+
+int ifunc_index(directive d, int type)
{
- switch (d) {
- case d_bondtypes:
- case d_bonds:
- switch(type) {
- case 1:
- return F_BONDS;
- case 2:
- return F_G96BONDS;
- case 3:
- return F_MORSE;
- case 4:
- return F_CUBICBONDS;
- case 5:
- return F_CONNBONDS;
- case 6:
- return F_HARMONIC;
- case 7:
- return F_FENEBONDS;
- case 8:
- return F_TABBONDS;
- case 9:
- return F_TABBONDSNC;
- case 10:
- return F_RESTRBONDS;
- default:
- gmx_fatal(FARGS,"Invalid bond type %d",type);
- break;
- }
- break;
- case d_angles:
- case d_angletypes:
- switch (type) {
- case 1:
- return F_ANGLES;
- case 2:
- return F_G96ANGLES;
- case 3:
- return F_CROSS_BOND_BONDS;
- case 4:
- return F_CROSS_BOND_ANGLES;
- case 5:
- return F_UREY_BRADLEY;
- case 6:
- return F_QUARTIC_ANGLES;
- case 8:
- return F_TABANGLES;
- case 9:
- return F_LINEAR_ANGLES;
- default:
- gmx_fatal(FARGS,"Invalid angle type %d",type);
- break;
- }
- break;
- case d_pairs:
- case d_pairtypes:
- if (type == 1 || (d == d_pairtypes && type == 2))
- return F_LJ14;
- else if (type == 2)
- return F_LJC14_Q;
- else
- gmx_fatal(FARGS,"Invalid pairs type %d",type);
- break;
- case d_pairs_nb:
- return F_LJC_PAIRS_NB;
- case d_dihedrals:
- case d_dihedraltypes:
- switch (type) {
- case 1:
- return F_PDIHS;
- case 2:
- return F_IDIHS;
- case 3:
- return F_RBDIHS;
- case 4:
- return F_PIDIHS;
- case 5:
- return F_FOURDIHS;
- case 8:
- return F_TABDIHS;
- case 9:
- return F_PDIHS; /* proper dihedrals where we allow multiple terms over single bond */
- default:
- gmx_fatal(FARGS,"Invalid dihedral type %d",type);
- }
- break;
- case d_cmaptypes:
- case d_cmap:
- return F_CMAP;
-
- case d_nonbond_params:
- if (type == 1)
- return F_LJ;
- else
- return F_BHAM;
- case d_vsites2:
- return F_VSITE2;
- case d_vsites3:
- switch (type) {
- case 1:
- return F_VSITE3;
- case 2:
- return F_VSITE3FD;
- case 3:
- return F_VSITE3FAD;
- case 4:
- return F_VSITE3OUT;
- default:
- gmx_fatal(FARGS,"Invalid vsites3 type %d",type);
- }
- break;
- case d_vsites4:
- switch (type) {
- case 1:
- return F_VSITE4FD;
- case 2:
- return F_VSITE4FDN;
- default:
- gmx_fatal(FARGS,"Invalid vsites4 type %d",type);
- }
- break;
- case d_vsitesn:
- return F_VSITEN;
- case d_constraints:
- case d_constrainttypes:
- switch (type) {
- case 1:
- return F_CONSTR;
- case 2:
- return F_CONSTRNC;
- default:
- gmx_fatal(FARGS,"Invalid constraints type %d",type);
- }
- break;
- case d_settles:
- return F_SETTLE;
- case d_position_restraints:
- switch (type) {
- case 1:
- return F_POSRES;
- case 2:
- gmx_fatal(FARGS,"Water polarization should now be listed under [ water_polarization ]\n");
- break;
- default:
- gmx_fatal(FARGS,"Invalid position restraint type %d",type);
- }
- break;
- case d_polarization:
- switch (type) {
- case 1:
- return F_POLARIZATION;
- case 2:
- return F_ANHARM_POL;
- default:
- gmx_fatal(FARGS,"Invalid polarization type %d",type);
+ switch (d)
+ {
+ case d_bondtypes:
+ case d_bonds:
+ switch (type)
+ {
+ case 1:
+ return F_BONDS;
+ case 2:
+ return F_G96BONDS;
+ case 3:
+ return F_MORSE;
+ case 4:
+ return F_CUBICBONDS;
+ case 5:
+ return F_CONNBONDS;
+ case 6:
+ return F_HARMONIC;
+ case 7:
+ return F_FENEBONDS;
+ case 8:
+ return F_TABBONDS;
+ case 9:
+ return F_TABBONDSNC;
+ case 10:
+ return F_RESTRBONDS;
+ default:
+ gmx_fatal(FARGS, "Invalid bond type %d", type);
+ break;
+ }
+ break;
+ case d_angles:
+ case d_angletypes:
+ switch (type)
+ {
+ case 1:
+ return F_ANGLES;
+ case 2:
+ return F_G96ANGLES;
+ case 3:
+ return F_CROSS_BOND_BONDS;
+ case 4:
+ return F_CROSS_BOND_ANGLES;
+ case 5:
+ return F_UREY_BRADLEY;
+ case 6:
+ return F_QUARTIC_ANGLES;
+ case 8:
+ return F_TABANGLES;
+ case 9:
+ return F_LINEAR_ANGLES;
+ case 10:
+ return F_RESTRANGLES;
+ default:
+ gmx_fatal(FARGS, "Invalid angle type %d", type);
+ break;
+ }
+ break;
+ case d_pairs:
+ case d_pairtypes:
+ if (type == 1 || (d == d_pairtypes && type == 2))
+ {
+ return F_LJ14;
+ }
+ else if (type == 2)
+ {
+ return F_LJC14_Q;
+ }
+ else
+ {
+ gmx_fatal(FARGS, "Invalid pairs type %d", type);
+ }
+ break;
+ case d_pairs_nb:
+ return F_LJC_PAIRS_NB;
+ case d_dihedrals:
+ case d_dihedraltypes:
+ switch (type)
+ {
+ case 1:
+ return F_PDIHS;
+ case 2:
+ return F_IDIHS;
+ case 3:
+ return F_RBDIHS;
+ case 4:
+ return F_PIDIHS;
+ case 5:
+ return F_FOURDIHS;
+ case 8:
+ return F_TABDIHS;
+ case 9:
+ return F_PDIHS; /* proper dihedrals where we allow multiple terms over single bond */
+ case 10:
+ return F_RESTRDIHS;
+ case 11:
+ return F_CBTDIHS;
+ default:
+ gmx_fatal(FARGS, "Invalid dihedral type %d", type);
+ }
+ break;
+ case d_cmaptypes:
+ case d_cmap:
+ return F_CMAP;
+
+ case d_nonbond_params:
+ if (type == 1)
+ {
+ return F_LJ;
+ }
+ else
+ {
+ return F_BHAM;
+ }
+ case d_vsites2:
+ return F_VSITE2;
+ case d_vsites3:
+ switch (type)
+ {
+ case 1:
+ return F_VSITE3;
+ case 2:
+ return F_VSITE3FD;
+ case 3:
+ return F_VSITE3FAD;
+ case 4:
+ return F_VSITE3OUT;
+ default:
+ gmx_fatal(FARGS, "Invalid vsites3 type %d", type);
+ }
+ break;
+ case d_vsites4:
+ switch (type)
+ {
+ case 1:
+ return F_VSITE4FD;
+ case 2:
+ return F_VSITE4FDN;
+ default:
+ gmx_fatal(FARGS, "Invalid vsites4 type %d", type);
+ }
+ break;
+ case d_vsitesn:
+ return F_VSITEN;
+ case d_constraints:
+ case d_constrainttypes:
+ switch (type)
+ {
+ case 1:
+ return F_CONSTR;
+ case 2:
+ return F_CONSTRNC;
+ default:
+ gmx_fatal(FARGS, "Invalid constraints type %d", type);
+ }
+ break;
+ case d_settles:
+ return F_SETTLE;
+ case d_position_restraints:
+ switch (type)
+ {
+ case 1:
+ return F_POSRES;
+ case 2:
+ return F_FBPOSRES;
+ break;
+ default:
+ gmx_fatal(FARGS, "Invalid position restraint type %d", type);
+ }
+ break;
+ case d_polarization:
+ switch (type)
+ {
+ case 1:
+ return F_POLARIZATION;
+ case 2:
+ return F_ANHARM_POL;
+ default:
+ gmx_fatal(FARGS, "Invalid polarization type %d", type);
+ }
+ break;
+ case d_thole_polarization:
+ return F_THOLE_POL;
+ case d_water_polarization:
+ return F_WATER_POL;
+ case d_angle_restraints:
+ return F_ANGRES;
+ case d_angle_restraints_z:
+ return F_ANGRESZ;
+ case d_distance_restraints:
+ return F_DISRES;
+ case d_orientation_restraints:
+ return F_ORIRES;
+ case d_dihedral_restraints:
+ return F_DIHRES;
+ default:
+ gmx_fatal(FARGS, "invalid directive %s in ifunc_index (%s:%s)",
+ dir2str(d), __FILE__, __LINE__);
}
- break;
- case d_thole_polarization:
- return F_THOLE_POL;
- case d_water_polarization:
- return F_WATER_POL;
- case d_angle_restraints:
- return F_ANGRES;
- case d_angle_restraints_z:
- return F_ANGRESZ;
- case d_distance_restraints:
- return F_DISRES;
- case d_orientation_restraints:
- return F_ORIRES;
- case d_dihedral_restraints:
- return F_DIHRES;
- default:
- gmx_fatal(FARGS,"invalid directive %s in ifunc_index (%s:%s)",
- dir2str(d),__FILE__,__LINE__);
- }
- return -1;
+ return -1;
}
-
+
const char *dir2str (directive d)
{
- if (d < d_maxdir)
- return ds[d];
- else
- return ds[d_maxdir];
+ if (d < d_maxdir)
+ {
+ return directive_names[d];
+ }
+ else
+ {
+ return directive_names[d_maxdir];
+ }
}
directive str2dir (char *dstr)
{
- int d;
- char buf[STRLEN],*ptr;
-
- /* Hack to be able to read old topologies */
- if (gmx_strncasecmp_min(dstr,"dummies",7) == 0) {
- sprintf(buf,"virtual_sites%s",dstr+7);
- ptr = buf;
- } else {
- ptr = dstr;
- }
-
- for (d=0; (d<d_maxdir); d++)
- if (gmx_strcasecmp_min(ptr,dir2str((directive)d)) == 0)
- return (directive)d;
+ int d;
+ char buf[STRLEN], *ptr;
+
+ /* Hack to be able to read old topologies */
+ if (gmx_strncasecmp_min(dstr, "dummies", 7) == 0)
+ {
+ sprintf(buf, "virtual_sites%s", dstr+7);
+ ptr = buf;
+ }
+ else
+ {
+ ptr = dstr;
+ }
- return d_invalid;
+ for (d = 0; (d < d_maxdir); d++)
+ {
+ if (gmx_strcasecmp_min(ptr, dir2str((directive)d)) == 0)
+ {
+ return (directive)d;
+ }
+ }
+
+ return d_invalid;
}
static directive **necessary = NULL;
static void set_nec(directive **n, ...)
/* Must always have at least one extra argument */
{
- va_list ap;
- int ind=0;
- directive d;
+ va_list ap;
+ int ind = 0;
+ directive d;
- va_start(ap,n);
- do {
- d = (directive)va_arg(ap,int);
- srenew(*n,++ind);
- (*n)[ind-1]=d;
- } while (d != d_none);
- va_end(ap);
+ va_start(ap, n);
+ do
+ {
+ d = (directive)va_arg(ap, int);
+ srenew(*n, ++ind);
+ (*n)[ind-1] = d;
+ }
+ while (d != d_none);
+ va_end(ap);
}
void DS_Init(DirStack **DS)
{
- if (necessary==NULL) {
- int i;
+ if (necessary == NULL)
+ {
+ int i;
- snew(necessary,d_maxdir);
- set_nec(&(necessary[d_defaults]),d_none);
- set_nec(&(necessary[d_atomtypes]),d_defaults,d_none);
- set_nec(&(necessary[d_bondtypes]),d_atomtypes,d_none);
- set_nec(&(necessary[d_constrainttypes]),d_atomtypes,d_none);
- set_nec(&(necessary[d_pairtypes]),d_atomtypes,d_none);
- set_nec(&(necessary[d_angletypes]),d_atomtypes,d_none);
- set_nec(&(necessary[d_dihedraltypes]),d_atomtypes,d_none);
- set_nec(&(necessary[d_nonbond_params]),d_atomtypes,d_none);
- set_nec(&(necessary[d_implicit_genborn_params]),d_atomtypes,d_none);
- set_nec(&(necessary[d_implicit_surface_params]),d_atomtypes,d_none);
- set_nec(&(necessary[d_cmaptypes]),d_atomtypes,d_none);
- set_nec(&(necessary[d_moleculetype]),d_atomtypes,d_none);
- set_nec(&(necessary[d_atoms]),d_moleculetype,d_none);
- set_nec(&(necessary[d_vsites2]),d_atoms,d_none);
- set_nec(&(necessary[d_vsites3]),d_atoms,d_none);
- set_nec(&(necessary[d_vsites4]),d_atoms,d_none);
- set_nec(&(necessary[d_vsitesn]),d_atoms,d_none);
- set_nec(&(necessary[d_bonds]),d_atoms,d_none);
- set_nec(&(necessary[d_exclusions]),d_bonds,d_constraints,d_settles,d_none);
- set_nec(&(necessary[d_pairs]),d_atoms,d_none);
- set_nec(&(necessary[d_pairs_nb]),d_atoms,d_none);
- set_nec(&(necessary[d_angles]),d_atoms,d_none);
- set_nec(&(necessary[d_polarization]),d_atoms,d_none);
- set_nec(&(necessary[d_water_polarization]),d_atoms,d_none);
- set_nec(&(necessary[d_thole_polarization]),d_atoms,d_none);
- set_nec(&(necessary[d_dihedrals]),d_atoms,d_none);
- set_nec(&(necessary[d_constraints]),d_atoms,d_none);
- set_nec(&(necessary[d_settles]),d_atoms,d_none);
- set_nec(&(necessary[d_system]),d_moleculetype,d_none);
- set_nec(&(necessary[d_molecules]),d_system,d_none);
- set_nec(&(necessary[d_position_restraints]),d_atoms,d_none);
- set_nec(&(necessary[d_angle_restraints]),d_atoms,d_none);
- set_nec(&(necessary[d_angle_restraints_z]),d_atoms,d_none);
- set_nec(&(necessary[d_distance_restraints]),d_atoms,d_none);
- set_nec(&(necessary[d_orientation_restraints]),d_atoms,d_none);
- set_nec(&(necessary[d_dihedral_restraints]),d_atoms,d_none);
- set_nec(&(necessary[d_cmap]), d_atoms, d_none);
+ snew(necessary, d_maxdir);
+ set_nec(&(necessary[d_defaults]), d_none);
+ set_nec(&(necessary[d_atomtypes]), d_defaults, d_none);
+ set_nec(&(necessary[d_bondtypes]), d_atomtypes, d_none);
+ set_nec(&(necessary[d_constrainttypes]), d_atomtypes, d_none);
+ set_nec(&(necessary[d_pairtypes]), d_atomtypes, d_none);
+ set_nec(&(necessary[d_angletypes]), d_atomtypes, d_none);
+ set_nec(&(necessary[d_dihedraltypes]), d_atomtypes, d_none);
+ set_nec(&(necessary[d_nonbond_params]), d_atomtypes, d_none);
+ set_nec(&(necessary[d_implicit_genborn_params]), d_atomtypes, d_none);
+ set_nec(&(necessary[d_implicit_surface_params]), d_atomtypes, d_none);
+ set_nec(&(necessary[d_cmaptypes]), d_atomtypes, d_none);
+ set_nec(&(necessary[d_moleculetype]), d_atomtypes, d_none);
+ set_nec(&(necessary[d_atoms]), d_moleculetype, d_none);
+ set_nec(&(necessary[d_vsites2]), d_atoms, d_none);
+ set_nec(&(necessary[d_vsites3]), d_atoms, d_none);
+ set_nec(&(necessary[d_vsites4]), d_atoms, d_none);
+ set_nec(&(necessary[d_vsitesn]), d_atoms, d_none);
+ set_nec(&(necessary[d_bonds]), d_atoms, d_none);
+ set_nec(&(necessary[d_exclusions]), d_bonds, d_constraints, d_settles, d_none);
+ set_nec(&(necessary[d_pairs]), d_atoms, d_none);
+ set_nec(&(necessary[d_pairs_nb]), d_atoms, d_none);
+ set_nec(&(necessary[d_angles]), d_atoms, d_none);
+ set_nec(&(necessary[d_polarization]), d_atoms, d_none);
+ set_nec(&(necessary[d_water_polarization]), d_atoms, d_none);
+ set_nec(&(necessary[d_thole_polarization]), d_atoms, d_none);
+ set_nec(&(necessary[d_dihedrals]), d_atoms, d_none);
+ set_nec(&(necessary[d_constraints]), d_atoms, d_none);
+ set_nec(&(necessary[d_settles]), d_atoms, d_none);
+ set_nec(&(necessary[d_system]), d_moleculetype, d_none);
+ set_nec(&(necessary[d_molecules]), d_system, d_none);
+ set_nec(&(necessary[d_position_restraints]), d_atoms, d_none);
+ set_nec(&(necessary[d_angle_restraints]), d_atoms, d_none);
+ set_nec(&(necessary[d_angle_restraints_z]), d_atoms, d_none);
+ set_nec(&(necessary[d_distance_restraints]), d_atoms, d_none);
+ set_nec(&(necessary[d_orientation_restraints]), d_atoms, d_none);
+ set_nec(&(necessary[d_dihedral_restraints]), d_atoms, d_none);
+ set_nec(&(necessary[d_cmap]), d_atoms, d_none);
- for(i=0; (i<d_maxdir); i++) {
- if (debug)
- fprintf(debug,"%20s: ",dir2str((directive)i));
- if(necessary[i]) {
- directive d;
- int j=0;
- do {
- d=necessary[i][j++];
- if (debug)
- fprintf(debug,"%20s ",dir2str(d));
- } while (d!=d_none);
- }
- if (debug)
- fprintf(debug,"\n");
+ for (i = 0; (i < d_maxdir); i++)
+ {
+ if (debug)
+ {
+ fprintf(debug, "%20s: ", dir2str((directive)i));
+ }
+ if (necessary[i])
+ {
+ directive d;
+ int j = 0;
+ do
+ {
+ d = necessary[i][j++];
+ if (debug)
+ {
+ fprintf(debug, "%20s ", dir2str(d));
+ }
+ }
+ while (d != d_none);
+ }
+ if (debug)
+ {
+ fprintf(debug, "\n");
+ }
+ }
}
- }
- *DS = NULL;
+ *DS = NULL;
}
void DS_Done (DirStack **DS)
{
- DirStack *D;
+ DirStack *D;
- while (*DS != NULL) {
- D = *DS;
- *DS = (*DS)->prev;
- sfree (D);
- }
+ while (*DS != NULL)
+ {
+ D = *DS;
+ *DS = (*DS)->prev;
+ sfree (D);
+ }
}
void DS_Push (DirStack **DS, directive d)
{
- DirStack *D;
+ DirStack *D;
- snew(D,1);
- D->d = d;
- D->prev = *DS;
- *DS = D;
+ snew(D, 1);
+ D->d = d;
+ D->prev = *DS;
+ *DS = D;
}
int DS_Search(DirStack *DS, directive d)
{
- DirStack *D;
-
- D = DS;
- while ((D != NULL) && (D->d != d))
- D = D->prev;
+ DirStack *D;
+
+ D = DS;
+ while ((D != NULL) && (D->d != d))
+ {
+ D = D->prev;
+ }
- return (D != NULL);
+ return (D != NULL);
}
-int DS_Check_Order(DirStack *DS,directive d)
+int DS_Check_Order(DirStack *DS, directive d)
{
- directive d0;
- int i=0;
+ directive d0;
+ int i = 0;
- /* Check if parameter definitions appear after a moleculetype directive */
- if (d<d_moleculetype && DS_Search(DS,d_moleculetype))
- return FALSE;
+ /* Check if parameter definitions appear after a moleculetype directive */
+ if (d < d_moleculetype && DS_Search(DS, d_moleculetype))
+ {
+ return FALSE;
+ }
- /* Check if all the necessary directives have appeared before directive d */
- if (necessary[d][0] == d_none)
- return TRUE;
- else {
- do {
- d0=necessary[d][i++];
- if (DS_Search(DS,d0))
- return TRUE;
- } while(d0!=d_none);
- }
- return FALSE;
+ /* Check if all the necessary directives have appeared before directive d */
+ if (necessary[d][0] == d_none)
+ {
+ return TRUE;
+ }
+ else
+ {
+ do
+ {
+ d0 = necessary[d][i++];
+ if (DS_Search(DS, d0))
+ {
+ return TRUE;
+ }
+ }
+ while (d0 != d_none);
+ }
+ return FALSE;
}
-
-
-
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff