Sort all includes in src/gromacs

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

diff --git a/src/gromacs/gmxpreprocess/hackblock.c b/src/gromacs/gmxpreprocess/hackblock.c
index a5cdc7a0afd71dfef7304f7c44add61506eb9635..c30a69851b82c6b85476b52c3bab218c1dfd0571 100644 (file)
--- a/src/gromacs/gmxpreprocess/hackblock.c
+++ b/src/gromacs/gmxpreprocess/hackblock.c
@@ -35,15 +35,16 @@
  * 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 <string.h>
 #include "hackblock.h"
+
+#include <string.h>
+
+#include "gromacs/legacyheaders/names.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/utility/cstringutil.h"
 #include "gromacs/utility/smalloc.h"
-#include "vec.h"
-#include "macros.h"
 
 /* these MUST correspond to the enum in hackblock.h */
 const char *btsNames[ebtsNR] = { "bonds", "angles", "dihedrals", "impropers", "exclusions", "cmap" };
@@ -93,7 +94,7 @@ void free_t_restp(int nrtp, t_restp **rtp)
             free_t_bondeds(&(*rtp)[i].rb[j]);
         }
     }
-    free(*rtp);
+    sfree(*rtp);
 }
 
 void free_t_hack(int nh, t_hack **h)
@@ -166,7 +167,7 @@ void clear_t_hack(t_hack *hack)
     }
 }
 
-#define safe_strdup(str) ((str != NULL) ? strdup(str) : NULL)
+#define safe_strdup(str) ((str != NULL) ? gmx_strdup(str) : NULL)
 
 static void copy_t_rbonded(t_rbonded *s, t_rbonded *d)
 {
@@ -176,7 +177,8 @@ static void copy_t_rbonded(t_rbonded *s, t_rbonded *d)
     {
         d->a[i] = safe_strdup(s->a[i]);
     }
-    d->s = safe_strdup(s->s);
+    d->s     = safe_strdup(s->s);
+    d->match = s->match;
 }
 
 static gmx_bool contains_char(t_rbonded *s, char c)
@@ -395,7 +397,7 @@ void dump_hb(FILE *out, int nres, t_hackblock hb[])
                     }
                     fprintf(out, " %s]", SS(hb[i].rb[j].b[k].s));
                 }
-                fprintf(out, "\n");
+                fprintf(out, " Entry matched: %s\n", yesno_names[hb[i].rb[j].b[k].match]);
             }
         }
         fprintf(out, "\n");