X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxpreprocess%2Finsert-molecules.cpp;h=b166e9d22bd0b5a27af31d2a08dd81e64ec3193a;hb=86f86f19d985cd5516b5f8bd5d3dab4760d4b573;hp=aefe09956344e63595e3900c225ba3ab379cda69;hpb=bd8ff104f5c56e7040041a456a349dac48bf60d9;p=alexxy%2Fgromacs.git

diff --git a/src/gromacs/gmxpreprocess/insert-molecules.cpp b/src/gromacs/gmxpreprocess/insert-molecules.cpp
index aefe099563..b166e9d22b 100644
--- a/src/gromacs/gmxpreprocess/insert-molecules.cpp
+++ b/src/gromacs/gmxpreprocess/insert-molecules.cpp
@@ -52,7 +52,6 @@
 #include "gromacs/options/basicoptions.h"
 #include "gromacs/options/filenameoption.h"
 #include "gromacs/options/ioptionscontainer.h"
-#include "gromacs/options/options.h"
 #include "gromacs/pbcutil/pbc.h"
 #include "gromacs/random/random.h"
 #include "gromacs/selection/nbsearch.h"
@@ -321,7 +320,7 @@ class InsertMolecules : public ICommandLineOptionsModule
 
         virtual void initOptions(IOptionsContainer                 *options,
                                  ICommandLineOptionsModuleSettings *settings);
-        virtual void optionsFinished(Options *options);
+        virtual void optionsFinished() {}
 
         virtual int run();
 
@@ -404,7 +403,7 @@ void InsertMolecules::initOptions(IOptionsContainer                 *options,
                            .description("Output configuration after insertion"));
 
     options->addOption(RealOption("box").vector()
-                           .store(newBox_)
+                           .store(newBox_).storeIsSet(&bBox_)
                            .description("Box size (in nm)"));
     options->addOption(IntegerOption("nmol")
                            .store(&nmolIns_)
@@ -430,11 +429,6 @@ void InsertMolecules::initOptions(IOptionsContainer                 *options,
                            .description("Rotate inserted molecules randomly"));
 }
 
-void InsertMolecules::optionsFinished(Options *options)
-{
-    bBox_ = options->isSet("box");
-}
-
 int InsertMolecules::run()
 {
     const bool bProt = !inputConfFile_.empty();