Candidate_v1.6.1
Candidate_v1.7.0
stable
|
Last change
on this file since a844d8 was f96874, checked in by Frederik Heber <heber@…>, 13 years ago |
|
AtomMask is now a set, inherited into own class.
- this is preparatory for multiple molecules fragmentation. Otherwise AtomMask
would always have size of total system.
- introduced template Mask class and added MoleculeMask for masking molecules.
|
-
Property mode
set to
100644
|
|
File size:
441 bytes
|
| Line | |
|---|
| 1 | /*
|
|---|
| 2 | * MoleculeMask.hpp
|
|---|
| 3 | *
|
|---|
| 4 | * Created on: Sep 7, 2012
|
|---|
| 5 | * Author: heber
|
|---|
| 6 | */
|
|---|
| 7 |
|
|---|
| 8 | #ifndef MOLECULEMASK_HPP_
|
|---|
| 9 | #define MOLECULEMASK_HPP_
|
|---|
| 10 |
|
|---|
| 11 |
|
|---|
| 12 | // include config.h
|
|---|
| 13 | #ifdef HAVE_CONFIG_H
|
|---|
| 14 | #include <config.h>
|
|---|
| 15 | #endif
|
|---|
| 16 |
|
|---|
| 17 | #include "Fragmentation/Mask.hpp"
|
|---|
| 18 | #include "types.hpp"
|
|---|
| 19 |
|
|---|
| 20 | /** MoleculeMask is a filter for a molecule ids. The bit is either true or false.
|
|---|
| 21 | *
|
|---|
| 22 | */
|
|---|
| 23 | struct MoleculeMask_t : public Mask_t<moleculeId_t>
|
|---|
| 24 | {
|
|---|
| 25 |
|
|---|
| 26 | };
|
|---|
| 27 |
|
|---|
| 28 |
|
|---|
| 29 |
|
|---|
| 30 | #endif /* MOLECULEMASK_HPP_ */
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
