Candidate_v1.6.1
ChemicalSpaceEvaluator
PythonUI_with_named_parameters
TremoloParser_IncreasedPrecision
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Last change
on this file since cd91bd was 5589e7e, checked in by Frederik Heber <heber@…>, 12 years ago |
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Added StoreSaturatedFragmentAction to save a set of atoms satured with hydrogen.
- add regression test on new action with a graphene sheet.
- the test is deactivated (with respect to diffing the output) as the bond
degree correction is far not stable and the output is hence random with
respect to the saturated hydrogens.
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-
Property mode
set to
100644
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File size:
410 bytes
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| 1 | /*
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| 2 | * StoreSaturatedFragmentAction.hpp
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| 3 | *
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| 4 | * Created on: Feb 26, 2013
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef STORESATURATEDFRAGMENTACTION_HPP_
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| 9 | #define STORESATURATEDFRAGMENTACTION_HPP_
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| 10 |
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| 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 |
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| 17 | #include "Actions/Action.hpp"
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| 18 |
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| 19 | #include "StoreSaturatedFragmentAction.def"
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| 20 | #include "Action_impl_header.hpp"
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| 21 |
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| 22 | #endif /* STORESATURATEDFRAGMENTACTION_HPP_ */
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