source: src/molecule_pointcloud.cpp@ 88104f

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Last change on this file since 88104f was 6ef0a4, checked in by Frederik Heber <heber@…>, 15 years ago

Removed Info objects from the small pointcloud implementation functions in molecule_pointcloud.cpp.

  • They made lots of noise for little use.

Signed-off-by: Frederik Heber <heber@…>

  • Property mode set to 100644
File size: 1.5 KB
Line 
1/*
2 * molecule_pointcloud.cpp
3 *
4 * Created on: Oct 5, 2009
5 * Author: heber
6 */
7
8#include "atom.hpp"
9#include "config.hpp"
10#include "info.hpp"
11#include "memoryallocator.hpp"
12#include "molecule.hpp"
13
14/************************************* Functions for class molecule *********************************/
15
16/** Returns a name for this point cloud, here the molecule's name.
17 * \return name of point cloud
18 */
19const char * const molecule::GetName() const
20{
21 return name;
22};
23
24/** Determine center of all atoms.
25 * \param *out output stream for debugging
26 * \return pointer to allocated with central coordinates
27 */
28Vector *molecule::GetCenter() const
29{
30 Vector *center = DetermineCenterOfAll();
31 return center;
32};
33
34
35/** PointCloud implementation of GoPoint
36 * Uses atoms and STL stuff.
37 */
38TesselPoint* molecule::GetPoint() const
39{
40 return (*InternalPointer);
41};
42
43/** PointCloud implementation of GoToNext.
44 * Uses atoms and STL stuff.
45 */
46void molecule::GoToNext() const
47{
48 if (InternalPointer != atoms.end())
49 InternalPointer++;
50};
51
52/** PointCloud implementation of GoToFirst.
53 * Uses atoms and STL stuff.
54 */
55void molecule::GoToFirst() const
56{
57 InternalPointer = atoms.begin();
58};
59
60/** PointCloud implementation of IsEmpty.
61 * Uses atoms and STL stuff.
62 */
63bool molecule::IsEmpty() const
64{
65 return (empty());
66};
67
68/** PointCloud implementation of IsLast.
69 * Uses atoms and STL stuff.
70 */
71bool molecule::IsEnd() const
72{
73 return (InternalPointer == atoms.end());
74};
75
76int molecule::GetMaxId() const {
77 return getAtomCount();
78}
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