Rewritten code for getting the descriptions of values so that we get …

…keywords in a way that will work with LOAD
plumed · May 22, 2024 · 9da68cb · 9da68cb
1 parent 2434e5c
commit 9da68cb
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Showing 5 changed files with 14 additions and 3 deletions.
diff --git a/src/cltools/Driver.cpp b/src/cltools/Driver.cpp
@@ -27,7 +27,6 @@
 #include "core/ActionWithValue.h"
 #include "core/ActionWithVirtualAtom.h"
 #include "core/ActionShortcut.h"
-#include "core/ActionRegister.h"
 #include "tools/Communicator.h"
 #include "tools/Random.h"
 #include "tools/Pbc.h"
@@ -788,7 +787,7 @@ int Driver<real>::main(FILE* in,FILE*out,Communicator& pc) {
           }
           ActionWithValue* av=dynamic_cast<ActionWithValue*>(pp.get());
           if( av && av->getNumberOfComponents()>0 ) {
-            Keywords keys; actionRegister().getKeywords( av->getName(), keys );
+            Keywords keys; p.getKeywordsForAction( av->getName(), keys ); 
             if( firsta ) { valuefile.printf("  \"%s\" : {\n    \"action\" : \"%s\"", av->getLabel().c_str(), keys.getDisplayName().c_str() ); firsta=false; }
             else valuefile.printf(",\n  \"%s\" : {\n    \"action\" : \"%s\"", av->getLabel().c_str(), keys.getDisplayName().c_str() );
             for(unsigned i=0; i<av->getNumberOfComponents(); ++i) {
@@ -808,7 +807,7 @@ int Driver<real>::main(FILE* in,FILE*out,Communicator& pc) {
 
             if( firsta ) { valuefile.printf("  \"shortcut_%s\" : {\n    \"action\" : \"%s\"", as->getShortcutLabel().c_str(), as->getName().c_str() ); firsta=false; }
             else valuefile.printf(",\n  \"shortcut_%s\" : {\n    \"action\" : \"%s\"", as->getShortcutLabel().c_str(), as->getName().c_str() );
-            Keywords keys; actionRegister().getKeywords( as->getName(), keys );
+            Keywords keys; p.getKeywordsForAction( as->getName(), keys ); 
             for(unsigned i=0; i<cnames.size(); ++i) {
               ActionWithValue* av2=p.getActionSet().selectWithLabel<ActionWithValue*>( cnames[i] );
               if( !av2 ) plumed_merror("could not find value created by shortcut with name " + cnames[i] );

diff --git a/src/core/ActionRegister.cpp b/src/core/ActionRegister.cpp
@@ -93,4 +93,8 @@ bool ActionRegister::getKeywords(const std::string& action, Keywords& keys) {
   return false;
 }
 
+void ActionRegister::getKeywords(const std::vector<void*> & images, const std::string& action, Keywords& keys) {
+  auto content=get(images,action); keys.thisactname = action; content.keys(keys);
+}
+
 }
diff --git a/src/core/ActionRegister.h b/src/core/ActionRegister.h
@@ -64,6 +64,7 @@ class ActionRegister:
   bool printManual(const std::string& action, const bool& vimout, const bool& spellout);
 /// Retrieve a keywords object for a particular action
   bool getKeywords( const std::string& action, Keywords& keys );
+  void getKeywords(const std::vector<void*> & images, const std::string& action, Keywords& keys);
 /// Print out a template command for an action
   bool printTemplate(const std::string& action, bool include_optional);
   std::vector<std::string> getActionNames() const;

diff --git a/src/core/PlumedMain.cpp b/src/core/PlumedMain.cpp
@@ -1488,6 +1488,10 @@ bool PlumedMain::parseOnlyMode() const {
   return doParseOnly;
 }
 
+void PlumedMain::getKeywordsForAction( const std::string& action, Keywords& keys ) const {
+  actionRegister().getKeywords( dlloader.getHandles(), action, keys ); 
+}
+
 #ifdef __PLUMED_HAS_PYTHON
 // This is here to stop cppcheck throwing an error
 #endif

diff --git a/src/core/PlumedMain.h b/src/core/PlumedMain.h
@@ -68,6 +68,7 @@ class FileBase;
 class TypesafePtr;
 class IFile;
 class Units;
+class Keywords;
 class DataPassingTools;
 
 /**
@@ -523,6 +524,8 @@ class PlumedMain:
   void plumedQuantityToMD( const std::string& unit, const double& eng, const TypesafePtr & m) const ;
 /// Take a typesafe pointer from the MD code and convert it to a double
   double MDQuantityToPLUMED( const std::string& unit, const TypesafePtr & m) const ;
+/// Get the keywords for a particular action
+  void getKeywordsForAction( const std::string& action, Keywords& keys ) const ;
 };
 
 /////