File: CircMNTable3D.cc

package info (click to toggle)
python-demgengeo 1.0-2
  • links: PTS, VCS
  • area: main
  • in suites: jessie, jessie-kfreebsd
  • size: 2,004 kB
  • ctags: 2,158
  • sloc: cpp: 12,532; python: 1,260; makefile: 281; sh: 92
file content (309 lines) | stat: -rw-r--r-- 8,655 bytes parent folder | download
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
/////////////////////////////////////////////////////////////
//                                                         //
// Copyright (c) 2007-2014 by The University of Queensland //
// Centre for Geoscience Computing                         //
// http://earth.uq.edu.au/centre-geoscience-computing      //
//                                                         //
// Primary Business: Brisbane, Queensland, Australia       //
// Licensed under the Open Software License version 3.0    //
// http://www.opensource.org/licenses/osl-3.0.php          //
//                                                         //
/////////////////////////////////////////////////////////////

#include "CircMNTable3D.h"

// --- System includes ---
#include <cmath>

using std::floor;

CircMNTable3D::CircMNTable3D()
{}

/*!
  Construct CircMNTable3D. Just calls MNTable3D constructor.

  \param MinPt minimum point (z component ignored)
  \param MaxPt maximum point (z component ignored)
  \param cd cell dimension
  \param ngroups initial number of particle groups
*/
CircMNTable3D::CircMNTable3D(const Vector3& MinPt,const Vector3& MaxPt,double cd,unsigned int ngroups):
  MNTable3D(MinPt, MaxPt, cd, ngroups)
{
  // check if grid spacing fits size in circular direction:
  double nx=(MaxPt-MinPt).X()/m_celldim;
  // error message if not
  if(nx!=floor(nx)){
    std::cout << "WARNING! grid spacing " << m_celldim << " doesn't fit periodic x-dimension " << (MaxPt-MinPt).X() << std::endl;
  }
  m_shift_x=Vector3((m_max_pt-m_min_pt).X(),0.0,0.0);
  set_x_circ();
}

/*!
  Destruct CircMNTable3D. Just calls MNTable3D destructor.
*/
CircMNTable3D::~CircMNTable3D()
{}

/*!
  set circularity of x-dimension to 1
*/
void CircMNTable3D::set_x_circ()
{
  m_x_periodic=1;
} 

int CircMNTable3D::getXIndex(const Vector3& Pos) const
{
  return int(floor((Pos.x()-m_origin.x())/m_celldim));
}

int CircMNTable3D::getYIndex(const Vector3& Pos) const
{
  return int(floor((Pos.y()-m_origin.y())/m_celldim));
}

int CircMNTable3D::getZIndex(const Vector3& Pos) const
{
  return int(floor((Pos.z()-m_origin.z())/m_celldim));
}

int CircMNTable3D::getFullIndex(const Vector3& Pos) const
{
  int ix=int(floor((Pos.x()-m_origin.x())/m_celldim));
  int iy=int(floor((Pos.y()-m_origin.y())/m_celldim));
  int iz=int(floor((Pos.z()-m_origin.z())/m_celldim));

  return idx(ix,iy,iz);
}

/*!
  get the cell index for a given position

  \param Pos the position
  \return the cell index if Pos is inside the table, -1 otherwise
*/
int CircMNTable3D::getIndex(const Vector3& Pos) const
{
  int ret;

  int ix=int(floor((Pos.x()-m_origin.x())/m_celldim));
  int iy=int(floor((Pos.y()-m_origin.y())/m_celldim));
  int iz=int(floor((Pos.z()-m_origin.z())/m_celldim));

  // check if pos is in table excl. padding
  if((ix>=0) && (ix<=m_nx-1) && (iy>0) && (iy<m_ny-1) && (iz>0) && (iz<m_nz-1)){
    ret=idx(ix,iy,iz);
  } else {
    ret=-1;
  }
  
  return ret;
}

/*!
  Insert sphere. Insert clone into other side of Table.

  \param S the Sphere
  \param gid the group id
*/
bool CircMNTable3D::insert(const Sphere& S,unsigned int gid)
{
  bool res;

  int id=getIndex(S.Center());
  int idx=getXIndex(S.Center());
  
  if((id!=-1) && (idx!=0) && (idx!=m_nx-1) && (gid<m_ngroups)){ // valid index
    // insert sphere
    m_data[id].insert(S,gid);
    res=true;
    int xidx=getXIndex(S.Center());
    // insert clone
    if (xidx==1){
      Sphere SClone=S;
      SClone.shift(m_shift_x);
      int clone_id=getFullIndex(SClone.Center());
      m_data[clone_id].insert(SClone,gid);
    } else if  (xidx==m_nx-2){
      Sphere SClone=S;
      SClone.shift(-1.0*m_shift_x);
      int clone_id=getFullIndex(SClone.Center());
      m_data[clone_id].insert(SClone,gid);
    } 
  } else {
    res=false;
  }

  return res;
}
/*!
  check if sphere is insertable

  \param S the Sphere
  \param gid the group id
*/
bool CircMNTable3D::checkInsertable(const Sphere& S,unsigned int gid)
{
 bool res;

  int id=getIndex(S.Center());
  int idx=getXIndex(S.Center());

  if((id!=-1) && (idx!=0) && (idx!=m_nx-1) && (gid<m_ngroups)){
    multimap<double,const Sphere*> close_spheres=getSpheresFromGroupNear(S.Center(),S.Radius()-s_small_value,gid);
    if(close_spheres.size()==0){ 
      res=true;
    } else {
      res=false;
//       for(map<double,const Sphere*>::const_iterator iter=close_spheres.begin();
// 	  iter!=close_spheres.end();
// 	  iter++){
// 	std::cout << iter->first << "  |  " << *(iter->second) << std::endl; 
//       }
    }
  } else {
    res=false;
  }

  return res;
}

/*!
  Insert sphere if it doesn't collide with other spheres. Insert clone into other side of Table.

  \param S the Sphere
  \param gid the group id
*/
bool CircMNTable3D::insertChecked(const Sphere& S,unsigned int gid,double tol)
{
  bool res;
  int id=getIndex(S.Center());
  int idx=getXIndex(S.Center());

  tol+=s_small_value;
  if((id!=-1) && (idx!=0) && (idx!=m_nx-1) && (gid<m_ngroups)){
    // insert original
    multimap<double,const Sphere*> close_spheres=getSpheresFromGroupNear(S.Center(),S.Radius()-tol,gid);
    if(close_spheres.size()==0){
      m_data[id].insert(S,gid);
      res=true;
    } else res=false;
    int xidx=getXIndex(S.Center());
    // insert clone
    if (xidx==1){
      Sphere SClone=S;
      SClone.shift(m_shift_x);
      multimap<double,const Sphere*> close_spheres=getSpheresFromGroupNear(SClone.Center(),SClone.Radius()-tol,gid);
      if(close_spheres.size()==0){
	int clone_id=getFullIndex(SClone.Center());
	m_data[clone_id].insert(SClone,gid);
      }
    } else if  (xidx==m_nx-2){
      Sphere SClone=S;
      SClone.shift(-1.0*m_shift_x);
      multimap<double,const Sphere*> close_spheres=getSpheresFromGroupNear(SClone.Center(),SClone.Radius()-tol,gid);
      if(close_spheres.size()==0){
	int clone_id=getFullIndex(SClone.Center());
	m_data[clone_id].insert(SClone,gid);
      }
    } 
  } else {
    res=false;
  }

  return res;
}


/*!
  generate bonds between particles of a group

  \param gid the group ID
  \param tol max. difference between bond length and equilibrium dist.
  \param btag bond tag
*/
void CircMNTable3D::generateBonds(int gid,double tol,int btag)
{
  std::cout << "MNTable3D::generateBonds( " << gid << " , " << tol << " , " << btag << " )" << std::endl;  // loop over all cells 
  for(int i=0;i<m_nx-1;i++){
    for(int j=1;j<m_ny-1;j++){
      for(int k=1;k<m_nz-1;k++){
	int id=idx(i,j,k);
	// loop over "upper" neighbors of each cell
	for(int ii=-1;ii<=1;ii++){
	  for(int jj=-1;jj<=1;jj++){
	    for(int kk=-1;kk<=1;kk++){
	      int id2=idx(i+ii,j+jj,k+kk);
	      vector<pair<int,int> > bonds;
	      if(((ii+jj+kk)==0)){ // intra-cell, not for boundary 
		bonds=m_data[id].getBonds(gid,tol);
	      } else if(id2>id){ // inter-cell
		bonds=m_data[id].getBonds(gid,tol,m_data[id2]);
	      } 
	      for(vector<pair<int,int> >::iterator iter=bonds.begin();
		  iter!=bonds.end();
		  iter++){	    
		m_bonds[btag].insert(*iter);
	      }
	    }
	  }
	}
      }
    }
  }
}

/*!
  generate bonds between particles of a group

  \param gid the group ID
  \param tol max. difference between bond length and equilibrium dist.
  \param btag1 tag for bonds within clusters (same particle tag)
  \param btag2 tag for bonds betweem clusters (different particle tag)
*/
void CircMNTable3D::generateClusterBonds(int gid,double tol,int btag1, int btag2)
{
  for(int i=0;i<m_nx-1;i++){
    for(int j=1;j<m_ny-1;j++){
      for(int k=1;k<m_nz-1;k++){
	int id=idx(i,j,k);
	// loop over "upper" neighbors of each cell
	for(int ii=-1;ii<=1;ii++){
	  for(int jj=-1;jj<=1;jj++){
	    for(int kk=-1;kk<=1;kk++){
	      int id2=idx(i+ii,j+jj,k+kk);
	      vector<pair<int,int> > same_bonds;
	      vector<pair<int,int> > diff_bonds;
	      if((id==id2) && (id!=-1)){ // intra-cell, not for boundary
		same_bonds=m_data[id].getBondsSame(gid,tol);
		diff_bonds=m_data[id].getBondsDiff(gid,tol);
	      } else if((id2>id) && (id!=-1) && (id2!=-1) ){ // inter-cell
		same_bonds=m_data[id].getBondsSame(gid,tol,m_data[id2]);
		diff_bonds=m_data[id].getBondsDiff(gid,tol,m_data[id2]);
	      } 
	      // insert intra-cluster bonds
	      for(vector<pair<int,int> >::iterator iter=same_bonds.begin();
		  iter!=same_bonds.end();
		  iter++){	    
		if(m_bonds[btag1].find(*iter)==m_bonds[btag1].end()){
		  m_bonds[btag1].insert(*iter);
		}
	      }
	      // insert inter-cluster bonds
	      for(vector<pair<int,int> >::iterator iter=diff_bonds.begin();
		  iter!=diff_bonds.end();
		  iter++){	    
		if(m_bonds[btag2].find(*iter)==m_bonds[btag2].end()){
		  m_bonds[btag2].insert(*iter);
		}
	      } 
	    }
	  }
	}
      }
    }
  }
}