~ubuntu-branches/ubuntu/trusty/travis/trusty

« back to all changes in this revision

Viewing changes to src/xvector3.h

Committer: Package Import Robot
Author(s): Daniel Leidert
Date: 2014-01-18 20:07:16 UTC
mfrom: (1.1.8)
Revision ID: package-import@ubuntu.com-20140118200716-whsmcg7fa1eyqecq

Tags: 140117-1

New upstream release.

files added:
src/plproj.cpp

src/plproj.h

files modified:
Makefile

README

debian/changelog

src/2df.cpp

src/2df.h

src/3df.cpp

src/3df.h

src/acf.cpp

src/acf.h

src/aggregate.h

src/analysis.h

src/analysisgroup.cpp

src/analysisgroup.h

src/asciiart.cpp

src/asciiart.h

src/atomgroup.cpp

src/atomgroup.h

src/backtrace.cpp

src/backtrace.h

src/base64.cpp

src/base64.h

src/bintools.cpp

src/bintools.h

src/bintree.cpp

src/bintree.h

src/cluster.cpp

src/cluster.h

src/config.h

src/dacf.cpp

src/dacf.h

src/database.cpp

src/database.h

src/df.cpp

src/df.h

src/element.h

src/elementdata.cpp

src/fesa.cpp

src/fesa.h

src/ffgen.cpp

src/ffgen.h

src/ffparm.cpp

src/fft.cpp

src/fft.h

src/gather.cpp

src/globalvar.cpp

src/globalvar.h

src/grace.cpp

src/grace.h

src/interface.cpp

src/interface.h

src/internalcoord.cpp

src/internalcoord.h

src/kiss_fft.cpp

src/kiss_fft.h

src/kiss_fft_guts.h

src/lmmin.cpp

src/lmmin.h

src/lmwrapper.cpp

src/lmwrapper.h

src/ltspec.cpp

src/ltspec.h

src/maintools.cpp

src/maintools.h

src/microhet.cpp

src/microhet.h

src/moltools.cpp

src/moltools.h

src/nbexchange.cpp

src/nbexchange.h

src/nbsearch.cpp

src/nbsearch.h

src/normalmode.cpp

src/normalmode.h

src/pdf.cpp

src/pdf.h

src/raman.cpp

src/raman.h

src/random.cpp

src/random.h

src/react.cpp

src/react.h

src/region.cpp

src/region.h

src/reordyn.cpp

src/reordyn.h

src/resp.cpp

src/resp.h

src/revsdf.cpp

src/revsdf.h

src/sdengine.cpp

src/sdengine.h

src/spectrum.cpp

src/spectrum.h

src/statistics.cpp

src/statistics.h

src/structurefactor.cpp

src/structurefactor.h

src/thermo.cpp

src/thermo.h

src/timestep.cpp

src/timestep.h

src/tools.cpp

src/tools.h

src/travis.cpp

src/travis.h

src/v_base_wl.cpp

src/v_c_loops.h

src/v_cell.cpp

src/v_cell.h

src/v_common.h

src/v_compute.cpp

src/v_compute.h

src/v_config.h

src/v_container.cpp

src/v_container.h

src/v_container_prd.cpp

src/v_container_prd.h

src/v_pre_container.cpp

src/voroanalysis.cpp

src/voroanalysis.h

src/vorowrapper.cpp

src/vorowrapper.h

src/xbytearray.cpp

src/xbytearray.h

src/xdf.cpp

src/xdf.h

src/xdmatrix3.cpp

src/xdmatrix3.h

src/xdoublearray.cpp

src/xdoublearray.h

src/xdvec3array.cpp

src/xdvec3array.h

src/xdvector3.cpp

src/xdvector3.h

src/xfloatarray.cpp

src/xfloatarray.h

src/xintarray.cpp

src/xintarray.h

src/xlongarray.cpp

src/xlongarray.h

src/xmatrix3.cpp

src/xmatrix3.h

src/xobarray.cpp

src/xobarray.h

src/xobject.h

src/xptrarray.cpp

src/xptrarray.h

src/xquaternion.h

src/xstring.cpp

src/xstring.h

src/xvec3array.cpp

src/xvec3array.h

src/xvector3.cpp

src/xvector3.h

src/xwordarray.cpp

src/xwordarray.h

src/ziggurat.cpp

src/ziggurat.h

Show diffs side-by-side

added added

removed removed

src/xvector3.h

/*****************************************************************************

TRAVIS - Trajectory Analyzer and Visualizer

http://www.travis-analyzer.de/

2012-2013 Martin Thomas

This file written by Martin Brehm.

This program is free software: you can redistribute it and/or modify

it under the terms of the GNU General Public License as published by

the Free Software Foundation, either version 3 of the License, or

(at your option) any later version.

This program is distributed in the hope that it will be useful,

but WITHOUT ANY WARRANTY; without even the implied warranty of

MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the

GNU General Public License for more details.

You should have received a copy of the GNU General Public License

along with this program. If not, see <http://www.gnu.org/licenses/>.

*****************************************************************************/

#ifndef CXVECTOR3_DEFINED

#define CXVECTOR3_DEFINED

#include "tools.h"

#include "xobject.h"

#include "backtrace.h"

#include "xdvector3.h"

class CxVector3 : public CxObject

{

public:

inline CxVector3() { }

inline ~CxVector3() { }

/* CxVector3(CxVector3 v)

{

m_pData[0] = v.m_pData[0];

m_pData[1] = v.m_pData[1];

m_pData[2] = v.m_pData[2];

}*/

inline CxVector3(const CxVector3 &v) : CxObject()

{

BXIN;

m_pData[0] = v.m_pData[0];

m_pData[1] = v.m_pData[1];

m_pData[2] = v.m_pData[2];

BXOUT;

}

inline CxVector3(const CxDVector3 &v)

{

BXIN;

m_pData[0] = (float)v.GetAt(0);

m_pData[1] = (float)v.GetAt(1);

m_pData[2] = (float)v.GetAt(2);

BXOUT;

}

inline CxVector3(float f)

{

BXIN;

m_pData[0] = f;

m_pData[1] = f;

m_pData[2] = f;

BXOUT;

}

inline CxVector3(float x, float y, float z)

{

BXIN;

m_pData[0] = x;

m_pData[1] = y;

m_pData[2] = z;

BXOUT;

}

inline float &GetAt(int i)

{

#ifdef DEBUG_CVECTOR3

mprintf("@ CxVector3::GetAt(int): %d...",i);

#endif

return m_pData[i];

}

inline float &operator [] (int i)

{

#ifdef DEBUG_CVECTOR3

mprintf("@ CxVector3::operator [] (int): %d\n",i);

#endif

return GetAt(i);

}

100

inline float GetAt(int i) const

101

{

102

#ifdef DEBUG_CVECTOR3

103

mprintf("@ CxVector3::GetAt(int): %d...",i);

104

#endif

105

#ifdef DEBUG_ARRAYS

106

if (i > 2)

107

{

108

mprintf("CxVector3::GetAt(int): Boundary Error (%d/3)...",i);

109

abort();

110

}

111

#endif

112

return m_pData[i];

113

}

114

115

inline float operator [] (int i) const

116

{

117

#ifdef DEBUG_CVECTOR3

118

mprintf("@ CxVector3::operator [] (int): %d\n",i);

119

#endif

120

return GetAt(i);

121

}

122

123

inline CxVector3 operator + (const CxVector3 &v) const

124

{

125

#ifdef DEBUG_CVECTOR3

126

mprintf("@ CxVector3::operator + (CxVector3&)\n");

127

#endif

128

return CxVector3(m_pData[0]+v.m_pData[0],m_pData[1]+v.m_pData[1],m_pData[2]+v.m_pData[2]);

129

}

130

131

inline CxVector3 operator - (const CxVector3 &v) const

132

{

133

#ifdef DEBUG_CVECTOR3

134

mprintf("@ CxVector3::operator - (CxVector3&)\n");

135

#endif

136

return CxVector3(m_pData[0]-v.m_pData[0],m_pData[1]-v.m_pData[1],m_pData[2]-v.m_pData[2]);

137

}

138

139

inline CxVector3 operator * (const float &f) const

140

{

141

#ifdef DEBUG_CVECTOR3

142

mprintf("@ CxVector3::operator * (float)\n");

143

#endif

144

return CxVector3(m_pData[0]*f,m_pData[1]*f,m_pData[2]*f);

145

}

146

147

inline CxVector3 operator / (const float &f) const

148

{

149

#ifdef DEBUG_CVECTOR3

150

mprintf("@ CxVector3::operator / (float)\n");

151

#endif

152

return CxVector3(m_pData[0]/f,m_pData[1]/f,m_pData[2]/f);

153

}

154

155

inline void operator += (const CxVector3 &v)

156

{

157

BXIN;

158

#ifdef DEBUG_CVECTOR3

159

mprintf("@ CxVector3::operator += (CxVector3&)\n");

160

#endif

161

m_pData[0] += v.m_pData[0];

162

m_pData[1] += v.m_pData[1];

163

m_pData[2] += v.m_pData[2];

164

BXOUT;

165

}

166

167

inline void operator -= (const CxVector3 &v)

168

{

169

BXIN;

170

#ifdef DEBUG_CVECTOR3

171

mprintf("@ CxVector3::operator -= (CxVector3&)\n");

172

#endif

173

m_pData[0] -= v.m_pData[0];

174

m_pData[1] -= v.m_pData[1];

175

m_pData[2] -= v.m_pData[2];

176

BXOUT;

177

}

178

179

inline void operator *= (const float &f)

180

{

181

BXIN;

182

#ifdef DEBUG_CVECTOR3

183

mprintf("@ CxVector3::operator *= (float)\n");

184

#endif

185

m_pData[0] *= f;

186

m_pData[1] *= f;

187

m_pData[2] *= f;

188

BXOUT;

189

}

190

191

inline void operator /= (const float &f)

192

{

193

BXIN;

194

#ifdef DEBUG_CVECTOR3

195

mprintf("@ CxVector3::operator /= (float)\n");

196

#endif

197

m_pData[0] /= f;

198

m_pData[1] /= f;

199

m_pData[2] /= f;

200

BXOUT;

201

}

202

203

inline float GetLength() const

204

{

205

return (float)sqrt(m_pData[0]*m_pData[0]+m_pData[1]*m_pData[1]+m_pData[2]*m_pData[2]);

206

}

207

208

inline float GetLengthSqr() const

209

{

210

return (float)(m_pData[0]*m_pData[0]+m_pData[1]*m_pData[1]+m_pData[2]*m_pData[2]);

211

}

212

213

inline void Normalize()

214

{

215

BXIN;

216

float l;

217

l = GetLength();

218

m_pData[0] /= l;

219

m_pData[1] /= l;

220

m_pData[2] /= l;

221

BXOUT;

222

}

223

224

void PointRoot(const CxVector3 &vec1, const CxVector3 &vec2, const CxVector3 &point);

225

226

void Dump() const;

227

228

private:

229

float m_pData[3];

230

};

231

232

233

float Dihedral(const CxVector3 &vec1, const CxVector3 &vec2, const CxVector3 &norm, bool absolute);

234

235

float Dihedral2(const CxVector3 &vec1, const CxVector3 &vec2, const CxVector3 &norm, bool absolute);

236

237

238

inline void Swap(CxVector3 &vec1, CxVector3 &vec2)

239

{

240

BXIN;

241

CxVector3 t;

242

t = vec1;

243

vec1 = vec2;

244

vec2 = t;

245

BXOUT;

246

}

247

248

249

inline CxVector3 operator * (const float &f, const CxVector3 &v)

250

{

251

return v*f;

252

}

253

254

255

inline CxVector3 CrossP(const CxVector3 &vec1, const CxVector3 &vec2)

256

{

257

return CxVector3(vec1[1]*vec2[2] - vec1[2]*vec2[1],

258

vec1[2]*vec2[0] - vec1[0]*vec2[2],

259

vec1[0]*vec2[1] - vec1[1]*vec2[0]);

260

}

261

262

263

inline float DotP(const CxVector3 &vec1, const CxVector3 &vec2)

264

{

265

return vec1[0]*vec2[0]+vec1[1]*vec2[1]+vec1[2]*vec2[2];

266

}

267

268

269

inline float Angle(const CxVector3 &vec1, const CxVector3 &vec2)

270

{

271

BXIN;

272

float t;

273

t = DotP(vec1,vec2) / vec1.GetLength() / vec2.GetLength();

274

if (t > 1.0f)

275

t = 1.0f;

276

if (t < -1.0f)

277

t = -1.0f;

278

return (float)acos(t);

279

BXOUT;

280

}

281

282

283

inline float Angle_Deg(const CxVector3 &vec1, const CxVector3 &vec2)

284

{

285

BXIN;

286

float t;

287

t = DotP(vec1,vec2) / vec1.GetLength() / vec2.GetLength();

288

if (t > 1.0f)

289

t = 1.0f;

290

if (t < -1.0f)

291

t = -1.0f;

292

t = (float)acos(t);

293

BXOUT;

294

return (float)fabs(t*180.0f / Pi);

295

}

296

297

298

inline float VecDist(const CxVector3 &vec1, const CxVector3 &vec2)

299

{

300

return (float)sqrt((vec1[0]-vec2[0])*(vec1[0]-vec2[0]) + (vec1[1]-vec2[1])*(vec1[1]-vec2[1]) + (vec1[2]-vec2[2])*(vec1[2]-vec2[2]));

301

}

302

303

304

CxVector3 PointFromRAD(CxVector3 r1, CxVector3 r2, CxVector3 r3, float r, float a, float d);

305

306

#endif

/*****************************************************************************

TRAVIS - Trajectory Analyzer and Visualizer

http://www.travis-analyzer.de/

2012-2014 Martin Thomas

This file written by Martin Brehm.

This program is free software: you can redistribute it and/or modify

it under the terms of the GNU General Public License as published by

the Free Software Foundation, either version 3 of the License, or

(at your option) any later version.

This program is distributed in the hope that it will be useful,

but WITHOUT ANY WARRANTY; without even the implied warranty of

MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the

GNU General Public License for more details.

You should have received a copy of the GNU General Public License

along with this program. If not, see <http://www.gnu.org/licenses/>.

*****************************************************************************/

#ifndef CXVECTOR3_DEFINED

#define CXVECTOR3_DEFINED

#include "tools.h"

#include "xobject.h"

#include "backtrace.h"

#include "xdvector3.h"

class CxVector3 : public CxObject

{

public:

inline CxVector3() { }

inline ~CxVector3() { }

/* CxVector3(CxVector3 v)

{

m_pData[0] = v.m_pData[0];

m_pData[1] = v.m_pData[1];

m_pData[2] = v.m_pData[2];

}*/

inline CxVector3(const CxVector3 &v) : CxObject()

{

BXIN;

m_pData[0] = v.m_pData[0];

m_pData[1] = v.m_pData[1];

m_pData[2] = v.m_pData[2];

BXOUT;

}

inline CxVector3(const CxDVector3 &v)

{

BXIN;

m_pData[0] = (float)v.GetAt(0);

m_pData[1] = (float)v.GetAt(1);

m_pData[2] = (float)v.GetAt(2);

BXOUT;

}

inline CxVector3(float f)

{

BXIN;

m_pData[0] = f;

m_pData[1] = f;

m_pData[2] = f;

BXOUT;

}

inline CxVector3(float x, float y, float z)

{

BXIN;

m_pData[0] = x;

m_pData[1] = y;

m_pData[2] = z;

BXOUT;

}

inline float &GetAt(int i)

{

#ifdef DEBUG_CVECTOR3

mprintf("@ CxVector3::GetAt(int): %d...",i);

#endif

return m_pData[i];

}

inline float &operator [] (int i)

{

#ifdef DEBUG_CVECTOR3

mprintf("@ CxVector3::operator [] (int): %d\n",i);

#endif

return GetAt(i);

}

100

inline float GetAt(int i) const

101

{

102

#ifdef DEBUG_CVECTOR3

103

mprintf("@ CxVector3::GetAt(int): %d...",i);

104

#endif

105

#ifdef DEBUG_ARRAYS

106

if (i > 2)

107

{

108

mprintf("CxVector3::GetAt(int): Boundary Error (%d/3)...",i);

109

abort();

110

}

111

#endif

112

return m_pData[i];

113

}

114

115

inline float operator [] (int i) const

116

{

117

#ifdef DEBUG_CVECTOR3

118

mprintf("@ CxVector3::operator [] (int): %d\n",i);

119

#endif

120

return GetAt(i);

121

}

122

123

inline CxVector3 operator + (const CxVector3 &v) const

124

{

125

#ifdef DEBUG_CVECTOR3

126

mprintf("@ CxVector3::operator + (CxVector3&)\n");

127

#endif

128

return CxVector3(m_pData[0]+v.m_pData[0],m_pData[1]+v.m_pData[1],m_pData[2]+v.m_pData[2]);

129

}

130

131

inline CxVector3 operator - (const CxVector3 &v) const

132

{

133

#ifdef DEBUG_CVECTOR3

134

mprintf("@ CxVector3::operator - (CxVector3&)\n");

135

#endif

136

return CxVector3(m_pData[0]-v.m_pData[0],m_pData[1]-v.m_pData[1],m_pData[2]-v.m_pData[2]);

137

}

138

139

inline CxVector3 operator * (const float &f) const

140

{

141

#ifdef DEBUG_CVECTOR3

142

mprintf("@ CxVector3::operator * (float)\n");

143

#endif

144

return CxVector3(m_pData[0]*f,m_pData[1]*f,m_pData[2]*f);

145

}

146

147

inline CxVector3 operator / (const float &f) const

148

{

149

#ifdef DEBUG_CVECTOR3

150

mprintf("@ CxVector3::operator / (float)\n");

151

#endif

152

return CxVector3(m_pData[0]/f,m_pData[1]/f,m_pData[2]/f);

153

}

154

155

inline void operator += (const CxVector3 &v)

156

{

157

BXIN;

158

#ifdef DEBUG_CVECTOR3

159

mprintf("@ CxVector3::operator += (CxVector3&)\n");

160

#endif

161

m_pData[0] += v.m_pData[0];

162

m_pData[1] += v.m_pData[1];

163

m_pData[2] += v.m_pData[2];

164

BXOUT;

165

}

166

167

inline void operator -= (const CxVector3 &v)

168

{

169

BXIN;

170

#ifdef DEBUG_CVECTOR3

171

mprintf("@ CxVector3::operator -= (CxVector3&)\n");

172

#endif

173

m_pData[0] -= v.m_pData[0];

174

m_pData[1] -= v.m_pData[1];

175

m_pData[2] -= v.m_pData[2];

176

BXOUT;

177

}

178

179

inline void operator *= (const float &f)

180

{

181

BXIN;

182

#ifdef DEBUG_CVECTOR3

183

mprintf("@ CxVector3::operator *= (float)\n");

184

#endif

185

m_pData[0] *= f;

186

m_pData[1] *= f;

187

m_pData[2] *= f;

188

BXOUT;

189

}

190

191

inline void operator /= (const float &f)

192

{

193

BXIN;

194

#ifdef DEBUG_CVECTOR3

195

mprintf("@ CxVector3::operator /= (float)\n");

196

#endif

197

m_pData[0] /= f;

198

m_pData[1] /= f;

199

m_pData[2] /= f;

200

BXOUT;

201

}

202

203

inline float GetLength() const

204

{

205

return (float)sqrt(m_pData[0]*m_pData[0]+m_pData[1]*m_pData[1]+m_pData[2]*m_pData[2]);

206

}

207

208

inline float GetLengthSqr() const

209

{

210

return (float)(m_pData[0]*m_pData[0]+m_pData[1]*m_pData[1]+m_pData[2]*m_pData[2]);

211

}

212

213

inline void Normalize()

214

{

215

BXIN;

216

float l;

217

l = GetLength();

218

m_pData[0] /= l;

219

m_pData[1] /= l;

220

m_pData[2] /= l;

221

BXOUT;

222

}

223

224

void PointRoot(const CxVector3 &vec1, const CxVector3 &vec2, const CxVector3 &point);

225

226

void Dump() const;

227

228

private:

229

float m_pData[3];

230

};

231

232

233

float Dihedral(const CxVector3 &vec1, const CxVector3 &vec2, const CxVector3 &norm, bool absolute);

234

235

float Dihedral2(const CxVector3 &vec1, const CxVector3 &vec2, const CxVector3 &norm, bool absolute);

236

237

238

inline void Swap(CxVector3 &vec1, CxVector3 &vec2)

239

{

240

BXIN;

241

CxVector3 t;

242

t = vec1;

243

vec1 = vec2;

244

vec2 = t;

245

BXOUT;

246

}

247

248

249

inline CxVector3 operator * (const float &f, const CxVector3 &v)

250

{

251

return v*f;

252

}

253

254

255

inline CxVector3 CrossP(const CxVector3 &vec1, const CxVector3 &vec2)

256

{

257

return CxVector3(vec1[1]*vec2[2] - vec1[2]*vec2[1],

258

vec1[2]*vec2[0] - vec1[0]*vec2[2],

259

vec1[0]*vec2[1] - vec1[1]*vec2[0]);

260

}

261

262

263

inline float DotP(const CxVector3 &vec1, const CxVector3 &vec2)

264

{

265

return vec1[0]*vec2[0]+vec1[1]*vec2[1]+vec1[2]*vec2[2];

266

}

267

268

269

inline float Angle(const CxVector3 &vec1, const CxVector3 &vec2)

270

{

271

BXIN;

272

float t;

273

t = DotP(vec1,vec2) / vec1.GetLength() / vec2.GetLength();

274

if (t > 1.0f)

275

t = 1.0f;

276

if (t < -1.0f)

277

t = -1.0f;

278

return (float)acos(t);

279

BXOUT;

280

}

281

282

283

inline float Angle_Deg(const CxVector3 &vec1, const CxVector3 &vec2)

284

{

285

BXIN;

286

float t;

287

t = DotP(vec1,vec2) / vec1.GetLength() / vec2.GetLength();

288

if (t > 1.0f)

289

t = 1.0f;

290

if (t < -1.0f)

291

t = -1.0f;

292

t = (float)acos(t);

293

BXOUT;

294

return (float)fabs(t*180.0f / Pi);

295

}

296

297

298

inline float VecDist(const CxVector3 &vec1, const CxVector3 &vec2)

299

{

300

return (float)sqrt((vec1[0]-vec2[0])*(vec1[0]-vec2[0]) + (vec1[1]-vec2[1])*(vec1[1]-vec2[1]) + (vec1[2]-vec2[2])*(vec1[2]-vec2[2]));

301

}

302

303

304

CxVector3 PointFromRAD(CxVector3 r1, CxVector3 r2, CxVector3 r3, float r, float a, float d);

305

306

#endif

Older »