Candidate_v1.7.0
stable
|
Last change
on this file since 2b88eb was fbf143, checked in by Frederik Heber <heber@…>, 13 years ago |
|
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.
|
-
Property mode
set to
100644
|
|
File size:
713 bytes
|
| Rev | Line | |
|---|
| [17c03f] | 1 | /*
|
|---|
| 2 | * parseKeySetFile.hpp
|
|---|
| 3 | *
|
|---|
| 4 | * Created on: Sep 28, 2012
|
|---|
| 5 | * Author: heber
|
|---|
| 6 | */
|
|---|
| 7 |
|
|---|
| 8 | #ifndef PARSEKEYSETFILES_HPP_
|
|---|
| 9 | #define PARSEKEYSETFILES_HPP_
|
|---|
| 10 |
|
|---|
| 11 |
|
|---|
| 12 | // include config.h
|
|---|
| 13 | #ifdef HAVE_CONFIG_H
|
|---|
| 14 | #include <config.h>
|
|---|
| 15 | #endif
|
|---|
| 16 |
|
|---|
| 17 | #include <string>
|
|---|
| 18 |
|
|---|
| 19 | class KeySetsContainer;
|
|---|
| 20 |
|
|---|
| 21 | /** Enumeration of the type of KeySet files for parseKeySetFile to choose.
|
|---|
| 22 | *
|
|---|
| 23 | */
|
|---|
| 24 | enum KeySetFileType
|
|---|
| 25 | {
|
|---|
| 26 | NonHydrogenKeySets, //!< KeySets excluding all hydrogen
|
|---|
| 27 | HydrogenKeySets //!< KeySets including all but saturation hydrogens
|
|---|
| 28 | };
|
|---|
| 29 |
|
|---|
| 30 | void parseKeySetFile(
|
|---|
| 31 | KeySetsContainer &KeySet,
|
|---|
| 32 | const std::string &KeySetFilename,
|
|---|
| 33 | const size_t FragmentCounter,
|
|---|
| 34 | const enum KeySetFileType keysettype
|
|---|
| 35 | );
|
|---|
| 36 |
|
|---|
| 37 | #endif /* PARSEKEYSETFILES_HPP_ */
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
