Add_FitFragmentPartialChargesAction
Fix_ChargeSampling_PBC
Fix_FitPartialCharges
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Last change
on this file since a9908c was fbf143, checked in by Frederik Heber <heber@…>, 13 years ago |
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Placed Containers, Converter, and SetValues as subfolders into Summation.
- also libMolecuilderFragmentationSummation is now a shared library, easing
linkage to libMolecuilderJobs, and contains all of the three convenience
libraries.
- libMolecuilderFragmentationSetValues is now again convenience, as contained
in ..Summation which in turn is shared.
- KeySetsContainer right now is the link between lib..Summation and lib..
Fragmentation. Hence, we had to extract the module and change it into a
shared library, as it is required by libMolecuilderJobs through ..Summation
but also by ..Fragmentation that heavily relies on this container.
- moved parseKeySetFile down into Fragmentation folder to KeySetsContainer, it
is also contained in new shared library libMolecuilderFragmentation_
KeySetsContainer.
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-
Property mode
set to
100644
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File size:
795 bytes
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| [447481] | 1 | /*
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| 2 | * extractJobIds.hpp
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| 3 | *
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| 4 | * Created on: Aug 31, 2012
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef EXTRACTJOBIDS_HPP_
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| 9 | #define EXTRACTJOBIDS_HPP_
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| 10 |
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| 11 |
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| 12 | // include config.h
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| 13 | #ifdef HAVE_CONFIG_H
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| 14 | #include <config.h>
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| 15 | #endif
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| 16 |
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| 17 | #include <algorithm>
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| 18 | #include <map>
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| 19 | #include <vector>
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| 20 |
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| 21 | #include <boost/bind.hpp>
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| 22 | #include <boost/lambda/lambda.hpp>
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| 23 |
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| [8e84fe] | 24 | #ifdef HAVE_JOBMARKET
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| [447481] | 25 | #include "JobMarket/types.hpp"
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| [8e84fe] | 26 | #else
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| 27 | typedef size_t JobId_t;
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| 28 | #endif
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| [447481] | 29 |
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| 30 | template <typename T>
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| 31 | std::vector<JobId_t> extractJobIds(const std::map<JobId_t, T> &iddata)
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| 32 | {
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| 33 | // create a vector of all job ids
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| 34 | std::vector<JobId_t> jobids;
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| 35 | std::transform(iddata.begin(),iddata.end(),
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| 36 | std::back_inserter(jobids),
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| 37 | boost::bind(&std::map<JobId_t,T>::value_type::first, boost::lambda::_1 )
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| 38 | );
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| 39 | return jobids;
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| 40 | }
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| 41 |
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| 42 |
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| 43 | #endif /* EXTRACTJOBIDS_HPP_ */
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