Sort all includes in src/gromacs

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / convparm.c

diff --git a/src/gromacs/gmxpreprocess/convparm.c b/src/gromacs/gmxpreprocess/convparm.c
index d23262b853bf3af4b1897d0a28a6acbf954f8949..e3bac959634c99ccff527314da7705448b8453cc 100644 (file)
--- a/src/gromacs/gmxpreprocess/convparm.c
+++ b/src/gromacs/gmxpreprocess/convparm.c
@@ -35,23 +35,23 @@
  * the research papers on the package. Check out http://www.gromacs.org.
  */
 /* This file is completely threadsafe - keep it that way! */
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
 
-#include <math.h>
-#include "sysstuff.h"
-#include "physics.h"
-#include "vec.h"
-#include "smalloc.h"
-#include "typedefs.h"
-#include "gmx_fatal.h"
-#include "topio.h"
-#include "toputil.h"
 #include "convparm.h"
-#include "names.h"
-#include "gpp_atomtype.h"
+
+#include <math.h>
+#include <string.h>
+
+#include "gromacs/gmxpreprocess/gpp_atomtype.h"
+#include "gromacs/gmxpreprocess/topio.h"
+#include "gromacs/gmxpreprocess/toputil.h"
+#include "gromacs/legacyheaders/names.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/math/units.h"
 #include "gromacs/math/utilities.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/smalloc.h"
 
 static int round_check(real r, int limit, int ftype, const char *name)
 {
@@ -218,6 +218,10 @@ assign_param(t_functype ftype, t_iparams *newparam,
             newparam->harmonic.rB  = old[2];
             newparam->harmonic.krB = old[3];
             break;
+        case F_RESTRANGLES:
+            newparam->harmonic.rA  = old[0];
+            newparam->harmonic.krA = old[1];
+            break;
         case F_MORSE:
             newparam->morse.b0A    = old[0];
             newparam->morse.cbA    = old[1];
@@ -307,6 +311,10 @@ assign_param(t_functype ftype, t_iparams *newparam,
 
             newparam->pdihs.mult = round_check(old[2], -99, ftype, "multiplicity");
 
+            break;
+        case F_RESTRDIHS:
+            newparam->pdihs.phiA = old[0];
+            newparam->pdihs.cpA  = old[1];
             break;
         case F_POSRES:
             newparam->posres.fcA[XX]   = old[0];
@@ -367,6 +375,12 @@ assign_param(t_functype ftype, t_iparams *newparam,
                 newparam->rbdihs.rbcB[i] = old[NR_RBDIHS+i];
             }
             break;
+        case F_CBTDIHS:
+            for (i = 0; (i < NR_CBTDIHS); i++)
+            {
+                newparam->cbtdihs.cbtcA[i] = old[i];
+            }
+            break;
         case F_FOURDIHS:
             /* Read the dihedral parameters to temporary arrays,
              * and convert them to the computationally faster