Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
|
Last change
on this file since 775f3f was 97445f, checked in by Frederik Heber <heber@…>, 10 years ago |
|
World::getMolecules..() now has const versions as well.
|
-
Property mode
set to
100644
|
|
File size:
404 bytes
|
| Line | |
|---|
| 1 | /*
|
|---|
| 2 | * MoleculeIdDescriptor.hpp
|
|---|
| 3 | *
|
|---|
| 4 | * Created on: Feb 5, 2010
|
|---|
| 5 | * Author: crueger
|
|---|
| 6 | */
|
|---|
| 7 |
|
|---|
| 8 | #ifndef MOLECULEPTRDESCRIPTOR_HPP_
|
|---|
| 9 | #define MOLECULEPTRDESCRIPTOR_HPP_
|
|---|
| 10 |
|
|---|
| 11 | // include config.h
|
|---|
| 12 | #ifdef HAVE_CONFIG_H
|
|---|
| 13 | #include <config.h>
|
|---|
| 14 | #endif
|
|---|
| 15 |
|
|---|
| 16 |
|
|---|
| 17 | #include "Helpers/defs.hpp"
|
|---|
| 18 | #include "Descriptors/MoleculeDescriptor.hpp"
|
|---|
| 19 |
|
|---|
| 20 | MoleculeDescriptor MoleculeByPtr(const molecule * ptr);
|
|---|
| 21 |
|
|---|
| 22 | #endif /* MOLECULEPTRDESCRIPTOR_HPP_ */
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
