Add_FitFragmentPartialChargesAction
        Fix_ChargeSampling_PBC
        Fix_FitPartialCharges
      
      
      
| Rev | Line |   | 
|---|
| [da098d2] | 1 | /*
 | 
|---|
 | 2 |  * ZeroInstanceInitializer.hpp
 | 
|---|
 | 3 |  *
 | 
|---|
 | 4 |  *  Created on: Jun 12, 2016
 | 
|---|
 | 5 |  *      Author: heber
 | 
|---|
 | 6 |  */
 | 
|---|
 | 7 | 
 | 
|---|
 | 8 | 
 | 
|---|
 | 9 | #ifndef ZEROINSTANCEINITIALIZER_HPP_
 | 
|---|
 | 10 | #define ZEROINSTANCEINITIALIZER_HPP_
 | 
|---|
 | 11 | 
 | 
|---|
 | 12 | // include config.h
 | 
|---|
 | 13 | #ifdef HAVE_CONFIG_H
 | 
|---|
 | 14 | #include <config.h>
 | 
|---|
 | 15 | #endif
 | 
|---|
 | 16 | 
 | 
|---|
 | 17 | #include <map>
 | 
|---|
 | 18 | #include <vector>
 | 
|---|
 | 19 | 
 | 
|---|
 | 20 | #include "Fragmentation/Summation/ZeroInstance.hpp"
 | 
|---|
 | 21 | 
 | 
|---|
 | 22 | /** This struct initializes zero instances for Summation and OrthogonalSummation
 | 
|---|
 | 23 |  * to use as default set of base values.
 | 
|---|
 | 24 |  *
 | 
|---|
 | 25 |  * Template MapType gives us a boost::fusion::map of types that we iterate over to
 | 
|---|
 | 26 |  * fill.
 | 
|---|
 | 27 |  */
 | 
|---|
 | 28 | template <typename MapType>
 | 
|---|
 | 29 | struct ZeroInstanceInitializer
 | 
|---|
 | 30 | {
 | 
|---|
 | 31 |   /** Constructor of class ZeroInstanceInitializer.
 | 
|---|
 | 32 |    *
 | 
|---|
 | 33 |    */
 | 
|---|
 | 34 |   ZeroInstanceInitializer(
 | 
|---|
 | 35 |        MapType &_ZeroInstances) :
 | 
|---|
 | 36 |         ZeroInstances(_ZeroInstances)
 | 
|---|
 | 37 |   {}
 | 
|---|
 | 38 | 
 | 
|---|
 | 39 |   /** Operator that fills the specific type \a MapValue to \a MapKey in its given
 | 
|---|
 | 40 |    * maps and vectors with false and the default ZeroInstance<T>.
 | 
|---|
 | 41 |    *
 | 
|---|
 | 42 |    */
 | 
|---|
 | 43 |   template <typename MapKey>
 | 
|---|
 | 44 |   void operator()(MapKey &) {
 | 
|---|
 | 45 |     // We retrieve the type of the member variable from the boost::fusion::map.
 | 
|---|
 | 46 |     typedef typename boost::fusion::result_of::value_at_key<MapType, MapKey>::type MapValue;
 | 
|---|
 | 47 | 
 | 
|---|
 | 48 |     // fill vector with default value
 | 
|---|
 | 49 |     const MapValue value = ZeroInstance<MapValue>();
 | 
|---|
 | 50 |     boost::fusion::at_key<MapKey>(ZeroInstances) = value;
 | 
|---|
 | 51 |   }
 | 
|---|
 | 52 | 
 | 
|---|
 | 53 |   //!> vector of all zero instance, to be filled by operator()
 | 
|---|
 | 54 |   MapType &ZeroInstances;
 | 
|---|
 | 55 | };
 | 
|---|
 | 56 | 
 | 
|---|
 | 57 | 
 | 
|---|
 | 58 | #endif /* ZEROINSTANCEINITIALIZER_HPP_ */
 | 
|---|
       
      
  Note:
 See   
TracBrowser
 for help on using the repository browser.