Add_FitFragmentPartialChargesAction
Fix_ChargeSampling_PBC
Fix_FitPartialCharges
|
Last change
on this file since a9908c was e0ae58d, checked in by Frederik Heber <heber@…>, 12 years ago |
|
createMatrixNrLookup now requires a ValueMask.
|
-
Property mode
set to
100644
|
|
File size:
751 bytes
|
| Line | |
|---|
| 1 | /*
|
|---|
| 2 | * createMatrixNrLookup.hpp
|
|---|
| 3 | *
|
|---|
| 4 | * Created on: Aug 31, 2012
|
|---|
| 5 | * Author: heber
|
|---|
| 6 | */
|
|---|
| 7 |
|
|---|
| 8 | #ifndef CREATEMATRIXNRLOOKUP_HPP_
|
|---|
| 9 | #define CREATEMATRIXNRLOOKUP_HPP_
|
|---|
| 10 |
|
|---|
| 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 | #ifdef HAVE_JOBMARKET
|
|---|
| 21 | #include "JobMarket/types.hpp"
|
|---|
| 22 | #else
|
|---|
| 23 | typedef size_t JobId_t;
|
|---|
| 24 | #endif
|
|---|
| 25 |
|
|---|
| 26 | /** Creates a lookup from FragmentJob::id to the true fragment number.
|
|---|
| 27 | *
|
|---|
| 28 | * @param jobids vector with job ids
|
|---|
| 29 | * @param FragmentCounter total number of fragments on return
|
|---|
| 30 | * @return Lookup up-map
|
|---|
| 31 | */
|
|---|
| 32 | std::map< JobId_t, size_t > createMatrixNrLookup(
|
|---|
| 33 | const std::vector<JobId_t> &jobids,
|
|---|
| 34 | size_t &FragmentCounter,
|
|---|
| 35 | std::vector<bool> &ValueMask);
|
|---|
| 36 |
|
|---|
| 37 | #endif /* CREATEMATRIXNRLOOKUP_HPP_ */
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
