Fixed final problems with building nest inputs and ran astyle

plumed · May 22, 2024 · 2fdf250 · 2fdf250 · PlumedBot · May 22, 2024
1 parent 4739c14
commit 2fdf250
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Showing 3 changed files with 12 additions and 13 deletions.
diff --git a/src/cltools/Driver.cpp b/src/cltools/Driver.cpp
@@ -787,16 +787,16 @@ int Driver<real>::main(FILE* in,FILE*out,Communicator& pc) {
           }
           ActionWithValue* av=dynamic_cast<ActionWithValue*>(pp.get());
           if( av && av->getNumberOfComponents()>0 ) {
-            Keywords keys; p.getKeywordsForAction( 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) {
-              Value* myval = av->copyOutput(i); std::string compname = myval->getName(), description; 
+              Value* myval = av->copyOutput(i); std::string compname = myval->getName(), description;
               if( av->getLabel()==compname ) {
-                  description = keys.getOutputComponentDescription(".#!value");
+                description = keys.getOutputComponentDescription(".#!value");
               } else {
-                  std::size_t dot=compname.find(av->getLabel() + "."); std::string cname = compname.substr(dot + av->getLabel().length() + 1); 
-                  description = av->getOutputComponentDescription( cname, keys );
+                std::size_t dot=compname.find(av->getLabel() + "."); std::string cname = compname.substr(dot + av->getLabel().length() + 1);
+                description = av->getOutputComponentDescription( cname, keys );
               }
               if( description.find("\\")!=std::string::npos ) error("found invalid backslash character in documentation for component " + compname + " in action " + av->getName() + " with label " + av->getLabel() );
               valuefile.printf(",\n    \"%s\" : { \"type\": \"%s\", \"description\": \"%s\" }", myval->getName().c_str(), myval->getValueType().c_str(), description.c_str() );
@@ -810,7 +810,7 @@ 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; p.getKeywordsForAction( 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] );
@@ -822,13 +822,13 @@ int Driver<real>::main(FILE* in,FILE*out,Communicator& pc) {
                 valuefile.printf(",\n    \"%s\" : { \"type\": \"%s\", \"description\": \"%s\" }", myval->getName().c_str(), myval->getValueType().c_str(), description.c_str() );
               } else {
                 for(unsigned j=0; j<av2->getNumberOfComponents(); ++j) {
-                  Value* myval = av2->copyOutput(j); std::string compname = myval->getName(), description; 
+                  Value* myval = av2->copyOutput(j); std::string compname = myval->getName(), description;
                   if( av2->getLabel()==compname ) {
-                      plumed_merror("should not be outputting description of value from action when using shortcuts");
+                    plumed_merror("should not be outputting description of value from action when using shortcuts");
                   } else {
-                      std::size_t dot=compname.find(av2->getLabel() + "."); std::string cname = compname.substr(dot+av2->getLabel().length() + 1); 
-                      description = av2->getOutputComponentDescription( cname, keys );
-                  } 
+                    std::size_t dot=compname.find(av2->getLabel() + "."); std::string cname = compname.substr(dot+av2->getLabel().length() + 1);
+                    description = av2->getOutputComponentDescription( cname, keys );
+                  }
                   if( description.find("\\")!=std::string::npos ) error("found invalid backslash character in documentation for component " + compname + " in action " + av2->getName() + " with label " + av2->getLabel() );
                   valuefile.printf(",\n    \"%s\" : { \"type\": \"%s\", \"description\": \"%s\" }", myval->getName().c_str(), myval->getValueType().c_str(), description.c_str() );
                 }

diff --git a/src/core/ActionWithValue.cpp b/src/core/ActionWithValue.cpp
@@ -170,7 +170,6 @@ void ActionWithValue::addComponentWithDerivatives( const std::string& name, cons
 
 std::string ActionWithValue::getOutputComponentDescription( const std::string& cname, const Keywords& keys ) const {
   std::size_t und=cname.find_last_of("_"); std::size_t hyph=cname.find_first_of("-");
-  if( und!=std::string::npos && hyph!=std::string::npos ) plumed_merror("cannot use underscore and hyphen in name");
   if( und!=std::string::npos ) return keys.getOutputComponentDescription(cname.substr(und)) + " This particular component measures this quantity for the input CV named " + cname.substr(0,und);
   if( hyph!=std::string::npos ) return keys.getOutputComponentDescription(cname.substr(0,hyph)) + "  This is the " + cname.substr(hyph+1) + "th of these quantities";
   plumed_massert( keys.outputComponentExists(cname), "component " + cname + " does not exist in " + keys.getDisplayName() + " if the component names are customizable then you should override this function" );

diff --git a/src/core/PlumedMain.cpp b/src/core/PlumedMain.cpp
@@ -1489,7 +1489,7 @@ bool PlumedMain::parseOnlyMode() const {
 }
 
 void PlumedMain::getKeywordsForAction( const std::string& action, Keywords& keys ) const {
-  actionRegister().getKeywords( dlloader.getHandles(), action, keys ); 
+  actionRegister().getKeywords( dlloader.getHandles(), action, keys );
 }
 
 #ifdef __PLUMED_HAS_PYTHON