Line data    Source code

       1             : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
       2             :    Copyright (c) 2012-2023 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             : namespace PLMD {
      26             : namespace generic {
      27             : 
      28             : //+PLUMEDOC COLVAR ONES
      29             : /*
      30             : Create a constant vector with all elements equal to one
      31             : 
      32             : The following input creates and outputs a constant vector with 10 elements that are all equal to one
      33             : 
      34             : ```plumed
      35             : ones: ONES SIZE=10
      36             : PRINT ARG=ones FILE=onesfile
      37             : ```
      38             : 
      39             : Notice that the ONES action is a shortcut to [CONSTANT](CONSTANT.md).
      40             : 
      41             : This action is used extensively when calculating coordination numbers in inputs similar to this one:
      42             : 
      43             : ```plumed
      44             : c1: CONTACT_MATRIX GROUP=1-7 SWITCH={RATIONAL R_0=2.6 NN=6 MM=12}
      45             : ones: ONES SIZE=7
      46             : cc: MATRIX_VECTOR_PRODUCT ARG=c1,ones
      47             : PRINT ARG=cc FILE=colvar
      48             : ```
      49             : 
      50             : For more information on why this is useful see [CONTACT_MATRIX](CONTACT_MATRIX.md)
      51             : 
      52             : */
      53             : //+ENDPLUMEDOC
      54             : 
      55             : class Ones : public ActionShortcut {
      56             : public:
      57             :   static void registerKeywords(Keywords& keys);
      58             :   explicit Ones(const ActionOptions&);
      59             : };
      60             : 
      61             : PLUMED_REGISTER_ACTION(Ones,"ONES")
      62             : 
      63         451 : void Ones::registerKeywords(Keywords& keys) {
      64         451 :   ActionShortcut::registerKeywords( keys );
      65         451 :   keys.add("compulsory","SIZE","the number of ones that you would like to create");
      66         902 :   keys.setValueDescription("scalar/vector","a vector of ones with the required number of elements");
      67         451 :   keys.needsAction("CONSTANT");
      68         451 : }
      69             : 
      70         255 : Ones::Ones(const ActionOptions& ao):
      71             :   Action(ao),
      72         255 :   ActionShortcut(ao) {
      73             :   unsigned size;
      74         255 :   parse("SIZE",size);
      75         255 :   if( size<1 ) {
      76           0 :     error("size should be greater than 0");
      77             :   }
      78         255 :   std::string ones="1";
      79      120919 :   for(unsigned i=1; i<size; ++i) {
      80             :     ones +=",1";
      81             :   }
      82         510 :   readInputLine( getShortcutLabel() + ": CONSTANT NOLOG VALUES=" + ones );
      83         255 : }
      84             : 
      85             : }
      86             : }