Line data    Source code

       1             : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
       2             :    Copyright (c) 2011-2023 The plumed team
       3             :    (see the PEOPLE file at the root of the distribution for a list of names)
       4             : 
       5             :    See http://www.plumed.org for more information.
       6             : 
       7             :    This file is part of plumed, version 2.
       8             : 
       9             :    plumed is free software: you can redistribute it and/or modify
      10             :    it under the terms of the GNU Lesser General Public License as published by
      11             :    the Free Software Foundation, either version 3 of the License, or
      12             :    (at your option) any later version.
      13             : 
      14             :    plumed is distributed in the hope that it will be useful,
      15             :    but WITHOUT ANY WARRANTY; without even the implied warranty of
      16             :    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
      17             :    GNU Lesser General Public License for more details.
      18             : 
      19             :    You should have received a copy of the GNU Lesser General Public License
      20             :    along with plumed.  If not, see <http://www.gnu.org/licenses/>.
      21             : +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
      22             : #ifndef __PLUMED_colvar_ColvarShortcut_h
      23             : #define __PLUMED_colvar_ColvarShortcut_h
      24             : 
      25             : #include "core/ActionShortcut.h"
      26             : 
      27             : namespace PLMD {
      28             : namespace colvar {
      29             : 
      30             : template <class T>
      31             : class ColvarShortcut : public ActionShortcut {
      32             : public:
      33             :   static void registerKeywords(Keywords&);
      34             :   explicit ColvarShortcut(const ActionOptions&);
      35             : };
      36             : 
      37             : template <class T>
      38        2016 : void ColvarShortcut<T>::registerKeywords(Keywords& keys ) {
      39        2016 :   T::registerKeywords( keys ); keys.remove("NO_ACTION_LOG");
      40        2016 :   unsigned nkeys = keys.size();
      41       18901 :   for(unsigned i=0; i<nkeys; ++i) {
      42       39601 :     if( keys.style( keys.get(i), "atoms" ) ) keys.reset_style( keys.get(i), "numbered" );
      43             :   }
      44        4032 :   keys.addActionNameSuffix("_SCALAR"); keys.addActionNameSuffix("_VECTOR");
      45        2016 : }
      46             : 
      47             : template <class T>
      48        1695 : ColvarShortcut<T>::ColvarShortcut(const ActionOptions&ao):
      49             :   Action(ao),
      50        1695 :   ActionShortcut(ao)
      51             : {
      52        1695 :   bool scalar=true; unsigned nkeys = keywords.size();
      53        5058 :   if( getName()=="MASS" || getName()=="CHARGE" || getName()=="POSITION" ) {
      54         306 :     std::string inpt; parse("ATOMS",inpt);
      55         153 :     if( inpt.length()>0 ) {
      56         114 :       readInputLine( getShortcutLabel() + ": " + getName() + "_VECTOR ATOMS=" + inpt + " " + convertInputLineToString() );
      57             :       scalar=false;
      58             :     }
      59             :   }
      60       15896 :   for(unsigned i=0; i<nkeys; ++i) {
      61       28690 :     if( keywords.style( keywords.get(i), "atoms" ) ) {
      62       10608 :       std::string inpt; parseNumbered( keywords.get(i), 1, inpt );
      63        5304 :       if( inpt.length()>0 ) {
      64         288 :         readInputLine( getShortcutLabel() + ": " + getName() + "_VECTOR " + keywords.get(i) + "1=" + inpt + " " + convertInputLineToString() );
      65             :         scalar=false; break;
      66             :       }
      67             :     }
      68             :   }
      69        3063 :   if( scalar ) readInputLine( getShortcutLabel() + ": " + getName() + "_SCALAR " + convertInputLineToString() );
      70        1701 : }
      71             : 
      72             : }
      73             : }
      74             : #endif