/*
- *
- * 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:
- * GROningen Mixture of Alchemy and Childrens' Stories
+ * 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 <stdlib.h>
-#include "typedefs.h"
-#include "string2.h"
-#include "futil.h"
-#include "smalloc.h"
-#include "readinp.h"
-#include "macros.h"
-#include "statutil.h"
-#include "gmxfio.h"
-#include "names.h"
-#include "warninp.h"
-#include "gmx_fatal.h"
-
-/* find an entry; return index, or -1 if not found */
-static int search_einp(int ninp, const t_inpfile *inp, const char *name);
-
-
-t_inpfile *read_inpfile(const char *fn,int *ninp,
- char **cppopts,
- warninp_t wi)
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/utility/cstringutil.h"
+#include "gromacs/utility/futil.h"
+#include "gromacs/utility/smalloc.h"
+#include "gromacs/legacyheaders/readinp.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/fileio/gmxfio.h"
+#include "gromacs/legacyheaders/names.h"
+#include "gromacs/legacyheaders/warninp.h"
+#include "gromacs/utility/fatalerror.h"
+
+t_inpfile *read_inpfile(const char *fn, int *ninp,
+ warninp_t wi)
{
- FILE *in;
- char buf[STRLEN],lbuf[STRLEN],rbuf[STRLEN],warn_buf[STRLEN];
- char *ptr,*cptr;
- t_inpfile *inp=NULL;
- int nin,lc,i,j,k;
- /* setting cppopts from command-line options would be cooler */
- gmx_bool allow_override=FALSE;
-
-
- if (debug)
- fprintf(debug,"Reading MDP file %s\n",fn);
-
- in = ffopen(fn, "r");
-
- nin = lc = 0;
- do {
- ptr = fgets2(buf,STRLEN-1,in);
- lc++;
- set_warning_line(wi,fn,lc);
- if (ptr) {
- /* Strip comment */
- if ((cptr=strchr(buf,COMMENTSIGN)) != NULL)
- *cptr='\0';
- /* Strip spaces */
- trim(buf);
-
- for(j=0; (buf[j] != '=') && (buf[j] != '\0'); j++)
- ;
- if (buf[j] == '\0') {
- if (j > 0) {
- if (debug)
- fprintf(debug,"No = on line %d in file %s, ignored\n",lc,fn);
- }
- }
- else {
- for(i=0; (i<j); i++)
- lbuf[i]=buf[i];
- lbuf[i]='\0';
- trim(lbuf);
- if (lbuf[0] == '\0') {
- if (debug)
- fprintf(debug,"Empty left hand side on line %d in file %s, ignored\n",lc,fn);
- }
- else {
- for(i=j+1,k=0; (buf[i] != '\0'); i++,k++)
- rbuf[k]=buf[i];
- rbuf[k]='\0';
- trim(rbuf);
- if (rbuf[0] == '\0') {
- if (debug)
- fprintf(debug,"Empty right hand side on line %d in file %s, ignored\n",lc,fn);
- }
- else {
- /* Now finally something sensible */
- int found_index;
-
- /* first check whether we hit the 'multiple_entries' option */
- if (gmx_strcasecmp_min(eMultentOpt_names[eMultentOptName], lbuf)==0)
- {
- /* we now check whether to allow overrides from here or not */
- if (gmx_strcasecmp_min(eMultentOpt_names[eMultentOptNo], rbuf)==0)
- {
- allow_override=FALSE;
- }
- else if (gmx_strcasecmp_min(eMultentOpt_names[eMultentOptLast], rbuf)==0)
- {
- allow_override=TRUE;
- }
- else
- {
- sprintf(warn_buf,
- "Parameter \"%s\" should either be %s or %s\n",
- lbuf,
- eMultentOpt_names[eMultentOptNo],
- eMultentOpt_names[eMultentOptLast]);
- warning_error(wi,warn_buf);
- }
- }
- else
- {
- /* it is a regular option; check for duplicates */
- found_index=search_einp(nin, inp, lbuf);
-
- if (found_index == -1)
- {
- /* add a new item */
- srenew(inp,++nin);
- inp[nin-1].inp_count = 1;
- inp[nin-1].count = 0;
- inp[nin-1].bObsolete = FALSE;
- inp[nin-1].bSet = FALSE;
- inp[nin-1].name = strdup(lbuf);
- inp[nin-1].value = strdup(rbuf);
- }
- else
- {
- if (!allow_override)
- {
- sprintf(warn_buf,
- "Parameter \"%s\" doubly defined (and multiple assignments not allowed)\n",
- lbuf);
- warning_error(wi,warn_buf);
- }
- else
- {
- /* override */
- sfree(inp[found_index].value);
- inp[found_index].value = strdup(rbuf);
- sprintf(warn_buf,
- "Overriding existing parameter \"%s\" with value \"%s\"\n",
- lbuf,rbuf);
- warning_note(wi,warn_buf);
- }
- }
- }
- }
- }
- }
+ FILE *in;
+ char buf[STRLEN], lbuf[STRLEN], rbuf[STRLEN], warn_buf[STRLEN];
+ char *ptr, *cptr;
+ t_inpfile *inp = NULL;
+ int nin, lc, i, j, k;
+ /* setting cppopts from command-line options would be cooler */
+ gmx_bool allow_override = FALSE;
+
+
+ if (debug)
+ {
+ fprintf(debug, "Reading MDP file %s\n", fn);
+ }
+
+ in = gmx_ffopen(fn, "r");
+
+ nin = lc = 0;
+ do
+ {
+ ptr = fgets2(buf, STRLEN-1, in);
+ lc++;
+ set_warning_line(wi, fn, lc);
+ if (ptr)
+ {
+ /* Strip comment */
+ if ((cptr = strchr(buf, COMMENTSIGN)) != NULL)
+ {
+ *cptr = '\0';
+ }
+ /* Strip spaces */
+ trim(buf);
+
+ for (j = 0; (buf[j] != '=') && (buf[j] != '\0'); j++)
+ {
+ ;
+ }
+ if (buf[j] == '\0')
+ {
+ if (j > 0)
+ {
+ if (debug)
+ {
+ fprintf(debug, "No = on line %d in file %s, ignored\n", lc, fn);
+ }
+ }
+ }
+ else
+ {
+ for (i = 0; (i < j); i++)
+ {
+ lbuf[i] = buf[i];
+ }
+ lbuf[i] = '\0';
+ trim(lbuf);
+ if (lbuf[0] == '\0')
+ {
+ if (debug)
+ {
+ fprintf(debug, "Empty left hand side on line %d in file %s, ignored\n", lc, fn);
+ }
+ }
+ else
+ {
+ for (i = j+1, k = 0; (buf[i] != '\0'); i++, k++)
+ {
+ rbuf[k] = buf[i];
+ }
+ rbuf[k] = '\0';
+ trim(rbuf);
+ if (rbuf[0] == '\0')
+ {
+ if (debug)
+ {
+ fprintf(debug, "Empty right hand side on line %d in file %s, ignored\n", lc, fn);
+ }
+ }
+ else
+ {
+ /* Now finally something sensible */
+ int found_index;
+
+ /* first check whether we hit the 'multiple_entries' option */
+ if (gmx_strcasecmp_min(eMultentOpt_names[eMultentOptName], lbuf) == 0)
+ {
+ /* we now check whether to allow overrides from here or not */
+ if (gmx_strcasecmp_min(eMultentOpt_names[eMultentOptNo], rbuf) == 0)
+ {
+ allow_override = FALSE;
+ }
+ else if (gmx_strcasecmp_min(eMultentOpt_names[eMultentOptLast], rbuf) == 0)
+ {
+ allow_override = TRUE;
+ }
+ else
+ {
+ sprintf(warn_buf,
+ "Parameter \"%s\" should either be %s or %s\n",
+ lbuf,
+ eMultentOpt_names[eMultentOptNo],
+ eMultentOpt_names[eMultentOptLast]);
+ warning_error(wi, warn_buf);
+ }
+ }
+ else
+ {
+ /* it is a regular option; check for duplicates */
+ found_index = search_einp(nin, inp, lbuf);
+
+ if (found_index == -1)
+ {
+ /* add a new item */
+ srenew(inp, ++nin);
+ inp[nin-1].inp_count = 1;
+ inp[nin-1].count = 0;
+ inp[nin-1].bObsolete = FALSE;
+ inp[nin-1].bSet = FALSE;
+ inp[nin-1].name = gmx_strdup(lbuf);
+ inp[nin-1].value = gmx_strdup(rbuf);
+ }
+ else
+ {
+ if (!allow_override)
+ {
+ sprintf(warn_buf,
+ "Parameter \"%s\" doubly defined (and multiple assignments not allowed)\n",
+ lbuf);
+ warning_error(wi, warn_buf);
+ }
+ else
+ {
+ /* override */
+ sfree(inp[found_index].value);
+ inp[found_index].value = gmx_strdup(rbuf);
+ sprintf(warn_buf,
+ "Overriding existing parameter \"%s\" with value \"%s\"\n",
+ lbuf, rbuf);
+ warning_note(wi, warn_buf);
+ }
+ }
+ }
+ }
+ }
+ }
+ }
}
- } while (ptr);
-
- ffclose(in);
+ while (ptr);
- if (debug) {
- fprintf(debug,"Done reading MDP file, there were %d entries in there\n",
- nin);
- }
+ gmx_ffclose(in);
- *ninp = nin;
+ if (debug)
+ {
+ fprintf(debug, "Done reading MDP file, there were %d entries in there\n",
+ nin);
+ }
- return inp;
+ *ninp = nin;
+
+ return inp;
}
-
-
-static int inp_comp(const void *a,const void *b)
+
+
+static int inp_comp(const void *a, const void *b)
{
- return ((t_inpfile *)a)->count - ((t_inpfile *)b)->count;
+ return ((t_inpfile *)a)->count - ((t_inpfile *)b)->count;
}
-static void sort_inp(int ninp,t_inpfile inp[])
+static void sort_inp(int ninp, t_inpfile inp[])
{
- int i,mm;
-
- mm=-1;
- for(i=0; (i<ninp); i++)
- mm=max(mm,inp[i].count);
- for(i=0; (i<ninp); i++) {
- if (inp[i].count == 0)
- inp[i].count = mm++;
- }
- qsort(inp,ninp,(size_t)sizeof(inp[0]),inp_comp);
+ int i, mm;
+
+ mm = -1;
+ for (i = 0; (i < ninp); i++)
+ {
+ mm = max(mm, inp[i].count);
+ }
+ for (i = 0; (i < ninp); i++)
+ {
+ if (inp[i].count == 0)
+ {
+ inp[i].count = mm++;
+ }
+ }
+ qsort(inp, ninp, (size_t)sizeof(inp[0]), inp_comp);
}
-void write_inpfile(const char *fn,int ninp,t_inpfile inp[],gmx_bool bHaltOnUnknown,
- warninp_t wi)
+void write_inpfile(const char *fn, int ninp, t_inpfile inp[], gmx_bool bHaltOnUnknown,
+ warninp_t wi)
{
- FILE *out;
- int i;
- char warn_buf[STRLEN];
-
- sort_inp(ninp,inp);
- out=gmx_fio_fopen(fn,"w");
- nice_header(out,fn);
- for(i=0; (i<ninp); i++) {
- if (inp[i].bSet) {
- if(inp[i].name[0]==';' || (strlen(inp[i].name)>2 && inp[i].name[1]==';'))
- fprintf(out,"%-24s\n",inp[i].name);
- else
- fprintf(out,"%-24s = %s\n",inp[i].name,inp[i].value ? inp[i].value : "");
- } else if (!inp[i].bObsolete) {
- sprintf(warn_buf,"Unknown left-hand '%s' in parameter file\n",
- inp[i].name);
- if (bHaltOnUnknown) {
- warning_error(wi,warn_buf);
- } else {
- warning(wi,warn_buf);
- }
+ FILE *out;
+ int i;
+ char warn_buf[STRLEN];
+
+ sort_inp(ninp, inp);
+ out = gmx_fio_fopen(fn, "w");
+ nice_header(out, fn);
+ for (i = 0; (i < ninp); i++)
+ {
+ if (inp[i].bSet)
+ {
+ if (inp[i].name[0] == ';' || (strlen(inp[i].name) > 2 && inp[i].name[1] == ';'))
+ {
+ fprintf(out, "%-24s\n", inp[i].name);
+ }
+ else
+ {
+ fprintf(out, "%-24s = %s\n", inp[i].name, inp[i].value ? inp[i].value : "");
+ }
+ }
+ else if (!inp[i].bObsolete)
+ {
+ sprintf(warn_buf, "Unknown left-hand '%s' in parameter file\n",
+ inp[i].name);
+ if (bHaltOnUnknown)
+ {
+ warning_error(wi, warn_buf);
+ }
+ else
+ {
+ warning(wi, warn_buf);
+ }
+ }
}
- }
- gmx_fio_fclose(out);
+ gmx_fio_fclose(out);
- check_warning_error(wi,FARGS);
+ check_warning_error(wi, FARGS);
}
-void replace_inp_entry(int ninp,t_inpfile *inp,const char *old_entry,const char *new_entry)
+void replace_inp_entry(int ninp, t_inpfile *inp, const char *old_entry, const char *new_entry)
{
- int i;
-
- for(i=0; (i<ninp); i++) {
- if (gmx_strcasecmp_min(old_entry,inp[i].name) == 0) {
- if (new_entry) {
- fprintf(stderr,"Replacing old mdp entry '%s' by '%s'\n",
- inp[i].name,new_entry);
- sfree(inp[i].name);
- inp[i].name = strdup(new_entry);
- } else {
- fprintf(stderr,"Ignoring obsolete mdp entry '%s'\n",
- inp[i].name);
- inp[i].bObsolete = TRUE;
- }
+ int i;
+
+ for (i = 0; (i < ninp); i++)
+ {
+ if (gmx_strcasecmp_min(old_entry, inp[i].name) == 0)
+ {
+ if (new_entry)
+ {
+ fprintf(stderr, "Replacing old mdp entry '%s' by '%s'\n",
+ inp[i].name, new_entry);
+ sfree(inp[i].name);
+ inp[i].name = gmx_strdup(new_entry);
+ }
+ else
+ {
+ fprintf(stderr, "Ignoring obsolete mdp entry '%s'\n",
+ inp[i].name);
+ inp[i].bObsolete = TRUE;
+ }
+ }
}
- }
}
-static int search_einp(int ninp, const t_inpfile *inp, const char *name)
+int search_einp(int ninp, const t_inpfile *inp, const char *name)
{
- int i;
-
- if (inp==NULL)
+ int i;
+
+ if (inp == NULL)
+ {
+ return -1;
+ }
+ for (i = 0; i < ninp; i++)
+ {
+ if (gmx_strcasecmp_min(name, inp[i].name) == 0)
+ {
+ return i;
+ }
+ }
return -1;
- for(i=0; i<ninp; i++)
- if (gmx_strcasecmp_min(name,inp[i].name) == 0)
- return i;
- return -1;
}
-static int get_einp(int *ninp,t_inpfile **inp,const char *name)
+static int get_einp(int *ninp, t_inpfile **inp, const char *name)
{
- int i;
- int notfound=FALSE;
- char warn_buf[STRLEN];
+ int i;
+ int notfound = FALSE;
+ char warn_buf[STRLEN];
/* if (inp==NULL)
return -1;
- for(i=0; (i<(*ninp)); i++)
+ for(i=0; (i<(*ninp)); i++)
if (gmx_strcasecmp_min(name,(*inp)[i].name) == 0)
break;
- if (i == (*ninp)) {*/
- i=search_einp(*ninp, *inp, name);
- if (i == -1)
- {
- notfound=TRUE;
- i=(*ninp)++;
- srenew(*inp,(*ninp));
- (*inp)[i].name=strdup(name);
- (*inp)[i].bSet=TRUE;
- }
- (*inp)[i].count = (*inp)[0].inp_count++;
- (*inp)[i].bSet = TRUE;
- if (debug)
- fprintf(debug,"Inp %d = %s\n",(*inp)[i].count,(*inp)[i].name);
-
- /*if (i == (*ninp)-1)*/
- if (notfound)
- return -1;
- else
- return i;
+ if (i == (*ninp)) {*/
+ i = search_einp(*ninp, *inp, name);
+ if (i == -1)
+ {
+ notfound = TRUE;
+ i = (*ninp)++;
+ srenew(*inp, (*ninp));
+ (*inp)[i].name = gmx_strdup(name);
+ (*inp)[i].bSet = TRUE;
+ }
+ (*inp)[i].count = (*inp)[0].inp_count++;
+ (*inp)[i].bSet = TRUE;
+ if (debug)
+ {
+ fprintf(debug, "Inp %d = %s\n", (*inp)[i].count, (*inp)[i].name);
+ }
+
+ /*if (i == (*ninp)-1)*/
+ if (notfound)
+ {
+ return -1;
+ }
+ else
+ {
+ return i;
+ }
}
-int get_eint(int *ninp,t_inpfile **inp,const char *name,int def,
- warninp_t wi)
+int get_eint(int *ninp, t_inpfile **inp, const char *name, int def,
+ warninp_t wi)
{
- char buf[32],*ptr,warn_buf[STRLEN];
- int ii;
- int ret;
-
- ii=get_einp(ninp,inp,name);
-
- if (ii == -1) {
- sprintf(buf,"%d",def);
- (*inp)[(*ninp)-1].value=strdup(buf);
-
- return def;
- }
- else {
- ret = strtol((*inp)[ii].value,&ptr,10);
- if (ptr == (*inp)[ii].value) {
- sprintf(warn_buf,"Right hand side '%s' for parameter '%s' in parameter file is not an integer value\n",(*inp)[ii].value,(*inp)[ii].name);
- warning_error(wi,warn_buf);
- }
+ char buf[32], *ptr, warn_buf[STRLEN];
+ int ii;
+ int ret;
- return ret;
- }
+ ii = get_einp(ninp, inp, name);
+
+ if (ii == -1)
+ {
+ sprintf(buf, "%d", def);
+ (*inp)[(*ninp)-1].value = gmx_strdup(buf);
+
+ return def;
+ }
+ else
+ {
+ ret = strtol((*inp)[ii].value, &ptr, 10);
+ if (ptr == (*inp)[ii].value)
+ {
+ sprintf(warn_buf, "Right hand side '%s' for parameter '%s' in parameter file is not an integer value\n", (*inp)[ii].value, (*inp)[ii].name);
+ warning_error(wi, warn_buf);
+ }
+
+ return ret;
+ }
}
-gmx_large_int_t get_egmx_large_int(int *ninp,t_inpfile **inp,
- const char *name,gmx_large_int_t def,
- warninp_t wi)
+gmx_int64_t get_eint64(int *ninp, t_inpfile **inp,
+ const char *name, gmx_int64_t def,
+ warninp_t wi)
{
- char buf[32],*ptr,warn_buf[STRLEN];
- int ii;
- gmx_large_int_t ret;
-
- ii=get_einp(ninp,inp,name);
-
- if (ii == -1) {
- sprintf(buf,gmx_large_int_pfmt,def);
- (*inp)[(*ninp)-1].value=strdup(buf);
-
- return def;
- }
- else {
- ret = str_to_large_int_t((*inp)[ii].value,&ptr);
- if (ptr == (*inp)[ii].value) {
- sprintf(warn_buf,"Right hand side '%s' for parameter '%s' in parameter file is not an integer value\n",(*inp)[ii].value,(*inp)[ii].name);
- warning_error(wi,warn_buf);
- }
+ char buf[32], *ptr, warn_buf[STRLEN];
+ int ii;
+ gmx_int64_t ret;
- return ret;
- }
+ ii = get_einp(ninp, inp, name);
+
+ if (ii == -1)
+ {
+ sprintf(buf, "%"GMX_PRId64, def);
+ (*inp)[(*ninp)-1].value = gmx_strdup(buf);
+
+ return def;
+ }
+ else
+ {
+ ret = str_to_int64_t((*inp)[ii].value, &ptr);
+ if (ptr == (*inp)[ii].value)
+ {
+ sprintf(warn_buf, "Right hand side '%s' for parameter '%s' in parameter file is not an integer value\n", (*inp)[ii].value, (*inp)[ii].name);
+ warning_error(wi, warn_buf);
+ }
+
+ return ret;
+ }
}
-double get_ereal(int *ninp,t_inpfile **inp,const char *name,double def,
- warninp_t wi)
+double get_ereal(int *ninp, t_inpfile **inp, const char *name, double def,
+ warninp_t wi)
{
- char buf[32],*ptr,warn_buf[STRLEN];
- int ii;
- double ret;
-
- ii=get_einp(ninp,inp,name);
-
- if (ii == -1) {
- sprintf(buf,"%g",def);
- (*inp)[(*ninp)-1].value=strdup(buf);
-
- return def;
- }
- else {
- ret = strtod((*inp)[ii].value,&ptr);
- if (ptr == (*inp)[ii].value) {
- sprintf(warn_buf,"Right hand side '%s' for parameter '%s' in parameter file is not a real value\n",(*inp)[ii].value,(*inp)[ii].name);
- warning_error(wi,warn_buf);
- }
+ char buf[32], *ptr, warn_buf[STRLEN];
+ int ii;
+ double ret;
- return ret;
- }
+ ii = get_einp(ninp, inp, name);
+
+ if (ii == -1)
+ {
+ sprintf(buf, "%g", def);
+ (*inp)[(*ninp)-1].value = gmx_strdup(buf);
+
+ return def;
+ }
+ else
+ {
+ ret = strtod((*inp)[ii].value, &ptr);
+ if (ptr == (*inp)[ii].value)
+ {
+ sprintf(warn_buf, "Right hand side '%s' for parameter '%s' in parameter file is not a real value\n", (*inp)[ii].value, (*inp)[ii].name);
+ warning_error(wi, warn_buf);
+ }
+
+ return ret;
+ }
}
-const char *get_estr(int *ninp,t_inpfile **inp,const char *name,const char *def)
+const char *get_estr(int *ninp, t_inpfile **inp, const char *name, const char *def)
{
- char buf[32];
- int ii;
-
- ii=get_einp(ninp,inp,name);
-
- if (ii == -1) {
- if (def) {
- sprintf(buf,"%s",def);
- (*inp)[(*ninp)-1].value=strdup(buf);
+ char buf[32];
+ int ii;
+
+ ii = get_einp(ninp, inp, name);
+
+ if (ii == -1)
+ {
+ if (def)
+ {
+ sprintf(buf, "%s", def);
+ (*inp)[(*ninp)-1].value = gmx_strdup(buf);
+ }
+ else
+ {
+ (*inp)[(*ninp)-1].value = NULL;
+ }
+
+ return def;
}
else
- (*inp)[(*ninp)-1].value=NULL;
-
- return def;
- }
- else
- return (*inp)[ii].value;
+ {
+ return (*inp)[ii].value;
+ }
}
-int get_eeenum(int *ninp,t_inpfile **inp,const char *name,const char **defs,
- warninp_t wi)
+int get_eeenum(int *ninp, t_inpfile **inp, const char *name, const char **defs,
+ warninp_t wi)
{
- int ii,i,j;
- int n=0;
- char buf[STRLEN];
-
- ii=get_einp(ninp,inp,name);
-
- if (ii == -1) {
- (*inp)[(*ninp)-1].value=strdup(defs[0]);
-
- return 0;
- }
-
- for(i=0; (defs[i] != NULL); i++)
- if (gmx_strcasecmp_min(defs[i],(*inp)[ii].value) == 0)
- break;
-
- if (defs[i] == NULL) {
- n += sprintf(buf,"Invalid enum '%s' for variable %s, using '%s'\n",
- (*inp)[ii].value,name,defs[0]);
- n += sprintf(buf+n,"Next time use one of:");
- j=0;
- while (defs[j]) {
- n += sprintf(buf+n," '%s'",defs[j]);
- j++;
+ int ii, i, j;
+ int n = 0;
+ char buf[STRLEN];
+
+ ii = get_einp(ninp, inp, name);
+
+ if (ii == -1)
+ {
+ (*inp)[(*ninp)-1].value = gmx_strdup(defs[0]);
+
+ return 0;
+ }
+
+ for (i = 0; (defs[i] != NULL); i++)
+ {
+ if (gmx_strcasecmp_min(defs[i], (*inp)[ii].value) == 0)
+ {
+ break;
+ }
}
- if (wi != NULL) {
- warning_error(wi,buf);
- } else {
- fprintf(stderr,"%s\n",buf);
+
+ if (defs[i] == NULL)
+ {
+ n += sprintf(buf, "Invalid enum '%s' for variable %s, using '%s'\n",
+ (*inp)[ii].value, name, defs[0]);
+ n += sprintf(buf+n, "Next time use one of:");
+ j = 0;
+ while (defs[j])
+ {
+ n += sprintf(buf+n, " '%s'", defs[j]);
+ j++;
+ }
+ if (wi != NULL)
+ {
+ warning_error(wi, buf);
+ }
+ else
+ {
+ fprintf(stderr, "%s\n", buf);
+ }
+
+ (*inp)[ii].value = gmx_strdup(defs[0]);
+
+ return 0;
}
- (*inp)[ii].value = strdup(defs[0]);
-
- return 0;
- }
-
- return i;
+ return i;
}
-int get_eenum(int *ninp,t_inpfile **inp,const char *name,const char **defs)
+int get_eenum(int *ninp, t_inpfile **inp, const char *name, const char **defs)
{
- int dum=0;
+ int dum = 0;
- return get_eeenum(ninp,inp,name,defs,NULL);
+ return get_eeenum(ninp, inp, name, defs, NULL);
}
-
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff