Sort all includes in src/gromacs

[alexxy/gromacs.git] / src / gromacs / commandline / pargs.cpp

diff --git a/src/gromacs/commandline/pargs.cpp b/src/gromacs/commandline/pargs.cpp
index 7b0f9ba2399765744378878f5f6b7e9a3daba218..8b7a459d8f3561038cbd1b4bf6f250c2922bb5b3 100644 (file)
--- a/src/gromacs/commandline/pargs.cpp
+++ b/src/gromacs/commandline/pargs.cpp
@@ -34,12 +34,9 @@
  * To help us fund GROMACS development, we humbly ask that you cite
  * the research papers on the package. Check out http://www.gromacs.org.
  */
-/* This file is completely threadsafe - keep it that way! */
 #include "gmxpre.h"
 
-#include "gromacs/commandline/pargs.h"
-
-#include "config.h"
+#include "pargs.h"
 
 #include <cstdlib>
 #include <cstring>
@@ -332,16 +329,23 @@ void OptionsAdapter::filenmToOptions(Options *options, t_filenm *fnm)
     const bool        bMultiple = ((fnm->flag & ffMULT)  != 0);
     const char *const name      = &fnm->opt[1];
     const char *      defName   = fnm->fn;
+    int               defType   = -1;
     if (defName == NULL)
     {
         defName = ftp2defnm(fnm->ftp);
     }
+    else if (std::strchr(defName, '.') != NULL)
+    {
+        defType = fn2ftp(defName);
+        GMX_RELEASE_ASSERT(defType != efNR,
+                           "File name option specifies an invalid extension");
+    }
     fileNameOptions_.push_back(FileNameData(fnm));
     FileNameData &data = fileNameOptions_.back();
     data.optionInfo = options->addOption(
                 FileNameOption(name).storeVector(&data.values)
-                    .defaultBasename(defName).legacyType(fnm->ftp)
-                    .legacyOptionalBehavior()
+                    .defaultBasename(defName).defaultType(defType)
+                    .legacyType(fnm->ftp).legacyOptionalBehavior()
                     .readWriteFlags(bRead, bWrite).required(!bOptional)
                     .libraryFile(bLibrary).multiValue(bMultiple)
                     .description(ftp2desc(fnm->ftp)));