Candidate_v1.6.1
ChemicalSpaceEvaluator
TremoloParser_IncreasedPrecision
|
Last change
on this file since fba720 was d927ab, checked in by Frederik Heber <heber@…>, 13 years ago |
|
Renamed AtomByShape -> AtomsByShape and speedup due to LinkedCell usage.
- since each Shape implements Shape::getRadius() and ::getCenter(), we may use
the LinkedCell construct to obtain a smaller neighborhood faster.
|
-
Property mode
set to
100644
|
|
File size:
401 bytes
|
| Line | |
|---|
| 1 | /*
|
|---|
| 2 | * AtomShapeDescriptor.hpp
|
|---|
| 3 | *
|
|---|
| 4 | * Created on: Jul 22, 2010
|
|---|
| 5 | * Author: crueger
|
|---|
| 6 | */
|
|---|
| 7 |
|
|---|
| 8 | #ifndef ATOMSHAPEDESCRIPTOR_HPP_
|
|---|
| 9 | #define ATOMSHAPEDESCRIPTOR_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/AtomDescriptor.hpp"
|
|---|
| 19 |
|
|---|
| 20 | class Shape;
|
|---|
| 21 |
|
|---|
| 22 | AtomDescriptor AtomsByShape(const Shape &shape);
|
|---|
| 23 |
|
|---|
| 24 | #endif /* ATOMSHAPEDESCRIPTOR_HPP_ */
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
