source: src/molecule_pointcloud.cpp@ fa56f0

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Last change on this file since fa56f0 was 71b20e, checked in by Frederik Heber <heber@…>, 15 years ago

Attempt to fix the embedding.

Basically it would be working, but there was some failures with the FindClosestTriangleToPoint() routines.
We get triangles wrong if we start looking for the closest point. Actually, we should really look at each
triangle and check the distance. Now, we look at least at each line, but code is unfinished and crashes at the end
unexplainedly.
  • Property mode set to 100644
File size: 2.1 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 "memoryallocator.hpp"
11#include "molecule.hpp"
12
13/************************************* Functions for class molecule *********************************/
14
15/** Returns a name for this point cloud, here the molecule's name.
16 * \return name of point cloud
17 */
18const char * const molecule::GetName() const
19{
20 return name;
21};
22
23/** Determine center of all atoms.
24 * \param *out output stream for debugging
25 * \return pointer to allocated with central coordinates
26 */
27Vector *molecule::GetCenter() const
28{
29 Vector *center = DetermineCenterOfAll();
30 return center;
31};
32
33/** Return current atom in the list.
34 * \return pointer to atom or NULL if none present
35 */
36TesselPoint *molecule::GetPoint() const
37{
38 if ((InternalPointer != start) && (InternalPointer != end))
39 return InternalPointer;
40 else
41 return NULL;
42};
43
44/** Return pointer to one after last atom in the list.
45 * \return pointer to end marker
46 */
47TesselPoint *molecule::GetTerminalPoint() const
48{
49 return end;
50};
51
52/** Return the greatest index of all atoms in the list.
53 * \return greatest index
54 */
55int molecule::GetMaxId() const
56{
57 return last_atom;
58};
59
60/** Go to next atom.
61 * Stops at last one.
62 */
63void molecule::GoToNext() const
64{
65 if (InternalPointer != end)
66 InternalPointer = InternalPointer->next;
67};
68
69/** Go to previous atom.
70 * Stops at first one.
71 */
72void molecule::GoToPrevious() const
73{
74 if (InternalPointer->previous != start)
75 InternalPointer = InternalPointer->previous;
76};
77
78/** Goes to first atom.
79 */
80void molecule::GoToFirst() const
81{
82 InternalPointer = start->next;
83};
84
85/** Goes to last atom.
86 */
87void molecule::GoToLast() const
88{
89 InternalPointer = end->previous;
90};
91
92/** Checks whether we have any atoms in molecule.
93 * \return true - no atoms, false - not empty
94 */
95bool molecule::IsEmpty() const
96{
97 return (start->next == end);
98};
99
100/** Checks whether we are at the last atom
101 * \return true - current atom is last one, false - is not last one
102 */
103bool molecule::IsEnd() const
104{
105 return (InternalPointer == end);
106};
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