Line data    Source code

       1             : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
       2             :    Copyright (c) 2013-2023 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             : #include "core/ActionShortcut.h"
      23             : #include "core/ActionRegister.h"
      24             : 
      25             : //+PLUMEDOC MCOLVAR MFILTER_LESS
      26             : /*
      27             : Basically equivalent to LESS_THAN.
      28             : 
      29             : This action has been depracated
      30             : 
      31             : \par Examples
      32             : 
      33             : 
      34             : */
      35             : //+ENDPLUMEDOC
      36             : 
      37             : namespace PLMD {
      38             : namespace multicolvar {
      39             : 
      40             : class MFilterLess : public ActionShortcut {
      41             : public:
      42             :   static void registerKeywords(Keywords& keys);
      43             :   explicit MFilterLess(const ActionOptions&);
      44             : };
      45             : 
      46             : PLUMED_REGISTER_ACTION(MFilterLess,"MFILTER_LESS")
      47             : 
      48           2 : void MFilterLess::registerKeywords(Keywords& keys) {
      49           2 :   ActionShortcut::registerKeywords( keys );
      50           4 :   keys.add("compulsory","DATA","the vector you wish to transform");
      51           4 :   keys.add("compulsory","SWITCH","the switching function that transform");
      52           4 :   keys.setValueDescription("vector","a vector that has the same dimension as the input vector with elements equal to one if the corresponding component of the vector is less than a tolerance and zero otherwise");
      53           4 :   keys.needsAction("GROUP"); keys.needsAction("LESS_THAN");
      54           2 : }
      55             : 
      56           0 : MFilterLess::MFilterLess(const ActionOptions& ao):
      57             :   Action(ao),
      58           0 :   ActionShortcut(ao)
      59             : {
      60           0 :   warning("This action has been depracated.  Look at the log to see how the same result is achieved with the new syntax");
      61           0 :   std::string dd; parse("DATA",dd);
      62           0 :   std::string swit; parse("SWITCH",swit);
      63           0 :   readInputLine( getShortcutLabel() + "_grp: GROUP ATOMS=" + dd + "_grp");
      64           0 :   readInputLine( getShortcutLabel() + ": LESS_THAN ARG=" + dd + " SWITCH={" + swit + "}");
      65           0 : }
      66             : 
      67             : }
      68             : }