Add_FitFragmentPartialChargesAction
Fix_ChargeSampling_PBC
Fix_FitPartialCharges
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Last change
on this file since a9908c was 78202b, checked in by Frederik Heber <heber@…>, 9 years ago |
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Adding potential action to parse and save atom fragment associations.
- Made KeySet serializable.
- added documentation on save and parse atom fragments.
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-
Property mode
set to
100644
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File size:
752 bytes
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| 1 | /*
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| 2 | * KeySet.hpp
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| 3 | *
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| 4 | * Created on: Oct 20, 2011
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef KEYSET_HPP_
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| 9 | #define KEYSET_HPP_
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| 10 |
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| 11 | #ifdef HAVE_CONFIG_H
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| 12 | #include <config.h>
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| 13 | #endif
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| 14 |
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| 15 | #include <set>
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| 16 |
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| 17 | #include <boost/serialization/base_object.hpp>
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| 18 | #include <boost/serialization/set.hpp>
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| 19 |
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| 20 | class KeySet : public std::set<int>
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| 21 | {
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| 22 | public:
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| 23 | KeySet();
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| 24 | ~KeySet();
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| 25 |
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| 26 | bool operator<(const KeySet &a) const;
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| 27 |
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| 28 | bool ScanBufferIntoKeySet(char *buffer);
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| 29 |
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| 30 | private:
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| 31 | friend class boost::serialization::access;
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| 32 | // serialization
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| 33 | template <typename Archive>
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| 34 | void serialize(Archive& ar, const unsigned int version)
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| 35 | {
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| 36 | ar & boost::serialization::base_object< std::set<int> >(*this);
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| 37 | }
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| 38 | };
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| 39 |
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| 40 | typedef std::pair<KeySet::iterator, bool> KeySetTestPair;
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| 41 |
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| 42 | #endif /* KEYSET_HPP_ */
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