src/gmxlib/tcontrol.c

   1 /*
   2  *
   3  *                This source code is part of
   4  *
   5  *                 G   R   O   M   A   C   S
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   7  *          GROningen MAchine for Chemical Simulations
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   9  *                        VERSION 3.2.0
  10  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  11  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  12  * Copyright (c) 2001-2004, The GROMACS development team,
  13  * check out http://www.gromacs.org for more information.
  14
  15  * This program is free software; you can redistribute it and/or
  16  * modify it under the terms of the GNU General Public License
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  34  */
  35 #ifdef HAVE_CONFIG_H
  36 #include <config.h>
  37 #endif
  38
  39 #include "typedefs.h"
  40 #include "statutil.h"
  41 #include "gmx_fatal.h"
  42
  43 #ifdef GMX_THREADS
  44 #include "thread_mpi.h"
  45 #endif
  46
  47 /* The source code in this file should be thread-safe.
  48          Please keep it that way. */
  49
  50 /* Globals for trajectory input */
  51 typedef struct {
  52   real t;
  53   bool bSet;
  54 } t_timecontrol;
  55
  56 static t_timecontrol timecontrol[TNR] = {
  57   { 0, FALSE },
  58   { 0, FALSE },
  59   { 0, FALSE }
  60 };
  61
  62 #ifdef GMX_THREADS
  63 static tMPI_Thread_mutex_t tc_mutex=TMPI_THREAD_MUTEX_INITIALIZER;
  64 #endif
  65
  66 typedef struct {
  67   real tfactor;
  68   const char *tstr,*xvgstr;
  69 } t_timeconvert;
  70
  71 static const t_timeconvert timeconvert[] = {
  72     { 0,                   NULL,  NULL       },
  73     { 1e3,                 "fs",  "fs"       },
  74     { 1,                   "ps",  "ps"       },
  75     { 1e-3,                "ns",  "ns"       },
  76     { 1e-6,                "us",  "\\mus"    },
  77     { 1e-9,                "ms",  "ms"       },
  78     { 1e-12,               "s",   "s"        },
  79     { (1.0/60.0)*1e-12,    "m",   "m"        },
  80     { (1.0/3600.0)*1e-12,  "h",   "h"        },
  81     { 0,                   NULL,  NULL       }
  82 };
  83
  84 bool bTimeSet(int tcontrol)
  85 {
  86     bool ret;
  87
  88 #ifdef GMX_THREADS
  89     tMPI_Thread_mutex_lock(&tc_mutex);
  90 #endif
  91     range_check(tcontrol,0,TNR);
  92     ret=timecontrol[tcontrol].bSet;
  93 #ifdef GMX_THREADS
  94     tMPI_Thread_mutex_unlock(&tc_mutex);
  95 #endif
  96
  97     return ret;
  98 }
  99
 100 real rTimeValue(int tcontrol)
 101 {
 102     real ret;
 103
 104 #ifdef GMX_THREADS
 105     tMPI_Thread_mutex_lock(&tc_mutex);
 106 #endif
 107     range_check(tcontrol,0,TNR);
 108     ret=timecontrol[tcontrol].t;
 109 #ifdef GMX_THREADS
 110     tMPI_Thread_mutex_unlock(&tc_mutex);
 111 #endif
 112     return ret;
 113 }
 114
 115 void setTimeValue(int tcontrol,real value)
 116 {
 117 #ifdef GMX_THREADS
 118     tMPI_Thread_mutex_lock(&tc_mutex);
 119 #endif
 120     range_check(tcontrol,0,TNR);
 121     timecontrol[tcontrol].t = value;
 122     timecontrol[tcontrol].bSet = TRUE;
 123 #ifdef GMX_THREADS
 124     tMPI_Thread_mutex_unlock(&tc_mutex);
 125 #endif
 126 }
 127
 128