Sort all includes in src/gromacs

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / solvate.cpp

diff --git a/src/gromacs/gmxpreprocess/solvate.cpp b/src/gromacs/gmxpreprocess/solvate.cpp
index 27623f165ebfa059dab3cd68761a0c8177b1dd9a..5cfbe5d03ec22cebb258509e0f01b864ba7d099d 100644 (file)
--- a/src/gromacs/gmxpreprocess/solvate.cpp
+++ b/src/gromacs/gmxpreprocess/solvate.cpp
@@ -34,31 +34,27 @@
  * To help us fund GROMACS development, we humbly ask that you cite
  * the research papers on the package. Check out http://www.gromacs.org.
  */
-#include "solvate.h"
+#include "gmxpre.h"
 
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "solvate.h"
 
 #include <string.h>
 
-#include "sysstuff.h"
-#include "typedefs.h"
-#include "gromacs/utility/smalloc.h"
-#include "gromacs/utility/cstringutil.h"
-#include "gromacs/fileio/confio.h"
-#include "macros.h"
-#include "gromacs/fileio/futil.h"
-#include "atomprop.h"
-#include "names.h"
-#include "vec.h"
-#include "gmx_fatal.h"
 #include "gromacs/commandline/pargs.h"
-#include "gromacs/gmxlib/conformation-utilities.h"
-#include "addconf.h"
-#include "read-conformation.h"
+#include "gromacs/fileio/confio.h"
 #include "gromacs/fileio/pdbio.h"
-#include "pbc.h"
+#include "gromacs/gmxlib/conformation-utilities.h"
+#include "gromacs/gmxpreprocess/addconf.h"
+#include "gromacs/gmxpreprocess/read-conformation.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/legacyheaders/names.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/topology/atomprop.h"
+#include "gromacs/utility/cstringutil.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/futil.h"
+#include "gromacs/utility/smalloc.h"
 
 #ifdef DEBUG
 static void print_stat(rvec *x, int natoms, matrix box)
@@ -117,8 +113,10 @@ static void sort_molecule(t_atoms **atoms_solvt, rvec *x, rvec *v, real *r)
             moltp = NOTSET;
             for (j = 0; (j < nrmoltypes) && (moltp == NOTSET); j++)
             {
-                if (strcmp(*(atoms->resinfo[atoms->atom[i].resind].name),
-                           moltypes[j].name) == 0)
+                /* cppcheck-suppress nullPointer
+                 * moltypes is guaranteed to be allocated because otherwise
+                 * nrmoltypes is 0. */
+                if (strcmp(*(atoms->resinfo[atoms->atom[i].resind].name), moltypes[j].name) == 0)
                 {
                     moltp = j;
                 }
@@ -721,7 +719,7 @@ int gmx_solvate(int argc, char *argv[])
           "Keep velocities from input solute and solvent" },
     };
 
-    if (!parse_common_args(&argc, argv, PCA_BE_NICE, NFILE, fnm, asize(pa), pa,
+    if (!parse_common_args(&argc, argv, 0, NFILE, fnm, asize(pa), pa,
                            asize(desc), desc, asize(bugs), bugs, &oenv))
     {
         return 0;