CompositeFunction.cpp 23.7 KB
Newer Older
1
2
3
4
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
#include "MantidKernel/Exception.h"
5
6
#include "MantidAPI/CompositeFunction.h"
#include "MantidAPI/ParameterTie.h"
7
#include "MantidAPI/IConstraint.h"
8

9
#include <boost/lexical_cast.hpp>
10
11
12
13
14
15
16
17
18
#include <boost/shared_array.hpp>
#include <sstream>
#include <iostream>

namespace Mantid
{
namespace API
{

19
20
DECLARE_FUNCTION(CompositeFunction)

21
22
/// Copy contructor
CompositeFunction::CompositeFunction(const CompositeFunction& f)
23
:m_nActive(f.m_nParams),m_nParams(f.m_nParams),m_iConstraintFunction(0)
24
25
26
27
28
29
30
31
32
33
34
35
36
37
{
  m_functions.assign(f.m_functions.begin(),f.m_functions.end());
  m_activeOffsets.assign(f.m_activeOffsets.begin(),f.m_activeOffsets.end());
  m_paramOffsets.assign(f.m_paramOffsets.begin(),f.m_paramOffsets.end());
}

///Assignment operator
CompositeFunction& CompositeFunction::operator=(const CompositeFunction& f)
{
  m_nActive = f.m_nActive;
  m_nParams = f.m_nParams;
  m_functions.assign(f.m_functions.begin(),f.m_functions.end());
  m_activeOffsets.assign(f.m_activeOffsets.begin(),f.m_activeOffsets.end());
  m_paramOffsets.assign(f.m_paramOffsets.begin(),f.m_paramOffsets.end());
38
  m_iConstraintFunction = f.m_iConstraintFunction;
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
  return *this;
}

///Destructor
CompositeFunction::~CompositeFunction()
{
  for(int i=0;i<nFunctions();i++)
    if (m_functions[i]) delete m_functions[i];
}


/// Function initialization. Declare function parameters in this method.
void CompositeFunction::init()
{
}

55
56
57
58
59
60
61
62
63
64
65
66
/** 
 * Writes itself into a string. Functions derived from CompositeFunction must
 * override this method with something like this:
 *   std::string NewFunction::asString()const
 *   {
 *      ostr << "composite=" << this->name() << ';';
 *      // write NewFunction's own attributes and parameters
 *      ostr << CompositeFunction::asString();
 *      // write NewFunction's own ties and constraints
 *      // ostr << ";constraints=(" << ... <<")";
 *   }
 */
67
68
69
70
71
std::string CompositeFunction::asString()const
{
  std::ostringstream ostr;
  for(int i=0;i<nFunctions();i++)
  {
72
73
74
    IFunction* fun = getFunction(i);
    bool isComp = dynamic_cast<CompositeFunction*>(fun) != 0;
    if (isComp) ostr << '(';
75
    ostr << fun->asString();
76
    if (isComp) ostr << ')';
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
    if (i < nFunctions() - 1)
    {
      ostr << ';';
    }
  }
  std::string ties;
  for(int i=0;i<nParams();i++)
  {
    const ParameterTie* tie = getTie(i);
    if (tie)
    {
      IFunction* fun = getFunction(functionIndex(i));
      std::string tmp = tie->asString(fun);
      if (tmp.empty())
      {
        tmp = tie->asString(this);
        if (!tmp.empty())
        {
          if (!ties.empty())
          {
            ties += ",";
          }
          ties += tmp;
        }
      }
    }
  }
  if (!ties.empty())
  {
    ostr << ";ties=(" << ties << ")";
107
108
109
110
  }
  return ostr.str();
}

111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
/// Function you want to fit to.
void CompositeFunction::function(double* out, const double* xValues, const int& nData)
{
  if (nData <= 0) return;
  boost::shared_array<double> tmpOut(new double[nData]);
  for(int i=0;i<nFunctions();i++)
  {
    if (i == 0)
      m_functions[i]->function(out,xValues,nData);
    else
    {
      m_functions[i]->function(tmpOut.get(),xValues,nData);
      std::transform(out,out+nData,tmpOut.get(),out,std::plus<double>());
    }
  }
}

/** A Jacobian for individual functions
 */
class PartialJacobian: public Jacobian
{
132
  Jacobian* m_J;  ///< pointer to the overall Jacobian
133
  int m_iP0;      ///< offset in the overall Jacobian for a particular function
134
  int m_iaP0;      ///< offset in the active Jacobian for a particular function
135
136
137
public:
  /** Constructor
   * @param J A pointer to the overall Jacobian
138
   * @param iP0 The parameter index (declared) offset for a particular function
139
   * @param iap0 The active parameter index (declared) offset for a particular function
140
   */
141
  PartialJacobian(Jacobian* J,int iP0, int iap0):m_J(J),m_iP0(iP0),m_iaP0(iap0)
142
  {}
143
144
145
146
  /**
   * Overridden Jacobian::set(...).
   * @param iY The index of the data point
   * @param iP The parameter index of an individual function.
147
   * @param value The derivative value
148
149
150
   */
  void set(int iY, int iP, double value)
  {
151
      m_J->set(iY,m_iP0 + iP,value);
152
  }
153
154
155
156
157
158
159
160
 /**  Add number to all iY (data) Jacobian elements for a given iP (parameter)
  *   @param value Value to add
  *   @param iActiveP The index of an active parameter.
  */
  virtual void addNumberToColumn(const double& value, const int& iActiveP) 
  {
    m_J->addNumberToColumn(value,m_iaP0+iActiveP);
  }
161
162
163
164
};

/// Derivatives of function with respect to active parameters
void CompositeFunction::functionDeriv(Jacobian* out, const double* xValues, const int& nData)
165
{
166
167
  for(int i=0;i<nFunctions();i++)
  {
168
    PartialJacobian J(out,m_paramOffsets[i],m_activeOffsets[i]);
169
170
171
172
173
174
175
176
177
178
    m_functions[i]->functionDeriv(&J,xValues,nData);
  }
}

/// Derivatives to be used in covariance matrix calculation. 
void CompositeFunction::calJacobianForCovariance(Jacobian* out, const double* xValues, const int& nData)
{
  if (nData <= 0) return;
  for(int i=0;i<nFunctions();i++)
  {
179
    PartialJacobian J(out,m_paramOffsets[i],m_activeOffsets[i]);
180
181
182
183
184
    m_functions[i]->calJacobianForCovariance(&J,xValues,nData);
  }
}


185
186
187
188
189
190
/** Sets a new value to the i-th parameter.
 *  @param i The parameter index
 *  @param value The new value
 *  @param explicitlySet A boolean falgging the parameter as explicitly set (by user)
 */
void CompositeFunction::setParameter(int i, const double& value, bool explicitlySet)
191
{
192
  int iFun = functionIndex(i);
193
  m_functions[ iFun ]->setParameter(i - m_paramOffsets[iFun],value,explicitlySet);
194
195
}

196
197
198
199
/** Get the i-th parameter.
 *  @param i The parameter index
 */
double CompositeFunction::getParameter(int i)const
200
{
201
  int iFun = functionIndex(i);
202
  return m_functions[ iFun ]->getParameter(i - m_paramOffsets[iFun]);
203
204
}

205
206
207
208
209
210
211
/**
 * Sets a new value to a parameter by name.
 * @param name The name of the parameter.
 * @param value The new value
 * @param explicitlySet A boolean falgging the parameter as explicitly set (by user)
 */
void CompositeFunction::setParameter(const std::string& name, const double& value, bool explicitlySet)
212
{
213
214
215
216
217
218
219
  std::string pname;
  int index;
  parseName(name,index,pname);
  if (index < 0)
    throw std::invalid_argument("CompositeFunction::getParameter: parameter name must contain function index");
  else
  {   
220
    getFunction(index)->setParameter(pname,value,explicitlySet);
221
  }
222
223
}

224
225
226
227
/**
 * Parameters by name.
 * @param name The name of the parameter.
 */
228
229
double CompositeFunction::getParameter(const std::string& name)const
{
230
231
232
233
234
235
236
237
238
  std::string pname;
  int index;
  parseName(name,index,pname);
  if (index < 0)
    throw std::invalid_argument("CompositeFunction::getParameter: parameter name must contain function index");
  else
  {   
    return getFunction(index)->getParameter(pname);
  }
239
240
241
242
243
244
245
246
}

/// Total number of parameters
int CompositeFunction::nParams()const
{
  return m_nParams;
}

247
/**
248
 * 
249
250
251
252
253
254
255
256
257
258
 * @param name The name of a parameter
 */
int CompositeFunction::parameterIndex(const std::string& name)const
{
  std::string pname;
  int index;
  parseName(name,index,pname);
  if (index < 0)
    throw std::invalid_argument("CompositeFunction::getParameter: parameter name must contain function index");

259
  return getFunction(index)->parameterIndex(pname) + m_paramOffsets[index];
260
261
}

262
263
264
/**
 * Checks that a pointer points to a parameter of this function and returns its index.
 * @param p A pointer to a double variable.
265
 * @return The index of the parameter or -1 if p is not a pointer to any of the function's parameters.
266
 */
267
268
269
270
271
272
273
274
275
276
277
278
//int CompositeFunction::parameterIndex(const double* p)const
//{
//  for(int iFun=0;iFun<nFunctions();iFun++)
//  {
//    int i = m_functions[iFun]->parameterIndex(p);
//    if (i >= 0)
//    {
//      return m_paramOffsets[iFun] + i;
//    }
//  }
//  return -1;
//}
279

280
281
282
/// Returns the name of parameter i
std::string CompositeFunction::parameterName(int i)const
{
283
  int iFun = functionIndex(i);
284
285
286
  std::ostringstream ostr;
  ostr << 'f' << iFun << '.' << m_functions[ iFun ]->parameterName(i - m_paramOffsets[iFun]);
  return ostr.str();
287
288
289
290
291
292
293
294
295
296
297
}

/// Number of active (in terms of fitting) parameters
int CompositeFunction::nActive()const
{
  return m_nActive;
}

/// Value of i-th active parameter. Override this method to make fitted parameters different from the declared
double CompositeFunction::activeParameter(int i)const
{
298
  int iFun = functionIndexActive(i);
299
300
301
302
303
304
  return m_functions[ iFun ]->activeParameter(i - m_activeOffsets[iFun]);
}

/// Set new value of i-th active parameter. Override this method to make fitted parameters different from the declared
void CompositeFunction::setActiveParameter(int i, double value)
{
305
  int iFun = functionIndexActive(i);
306
307
308
309
310
311
312
313
314
315
  return m_functions[ iFun ]->setActiveParameter(i - m_activeOffsets[iFun],value);
}

/// Update parameters after a fitting iteration
void CompositeFunction::updateActive(const double* in)
{
  for(int iFun = 0; iFun < int(m_functions.size()); iFun++)
  {
    m_functions[ iFun ]->updateActive(in + m_activeOffsets[ iFun ]);
  }
316
  applyTies();
317
318
319
320
321
}

/// Returns "global" index of active parameter i
int CompositeFunction::indexOfActive(int i)const
{
322
  int iFun = functionIndexActive(i);
323
324
325
326
327
328
  return m_paramOffsets[ iFun ] + m_functions[ iFun ]->indexOfActive(i - m_activeOffsets[iFun]);
}

/// Returns the name of active parameter i
std::string CompositeFunction::nameOfActive(int i)const
{
329
  int iFun = functionIndexActive(i);
330
331
332
  std::ostringstream ostr;
  ostr << 'f' << iFun << '.' << m_functions[ iFun ]->nameOfActive(i - m_activeOffsets[iFun]);
  return ostr.str();
333
334
}

335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
/**
 * Returns true if parameter i is active
 * @param i The index of a declared parameter
 */
bool CompositeFunction::isActive(int i)const
{
  int iFun = functionIndex(i);
  return m_functions[ iFun ]->isActive(i - m_paramOffsets[iFun]);
}

/**
 * @param i A declared parameter index to be removed from active
 */
void CompositeFunction::removeActive(int i)
{
350
  if (!isActive(i)) return;
351
352
353
354
355
  int iFun = functionIndex(i);
  int ia = m_activeOffsets[iFun] + m_functions[iFun]->activeIndex(i - m_paramOffsets[iFun]);
  m_iFunctionActive.erase(m_iFunctionActive.begin()+ia);
  m_functions[ iFun ]->removeActive(i - m_paramOffsets[iFun]);

356
  m_nActive--;
357
358
359
360
  for(int j=iFun+1;j<nFunctions();j++)
    m_activeOffsets[j] -= 1;
}

361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
/** Makes a parameter active again. It doesn't change the parameter's tie.
 * @param i A declared parameter index to be restored to active
 */
void CompositeFunction::restoreActive(int i)
{
  int iFun = functionIndex(i);
  int ia = m_activeOffsets[iFun] + m_functions[iFun]->activeIndex(i - m_paramOffsets[iFun]);

  std::vector<int>::iterator itFun = 
    std::find_if(m_iFunctionActive.begin(),m_iFunctionActive.end(),std::bind2nd(std::greater<int>(),i));

  m_iFunctionActive.insert(itFun,1,ia);
  m_functions[ iFun ]->restoreActive(i - m_paramOffsets[iFun]);

  m_nActive++;
  for(int j=iFun+1;j<nFunctions();j++)
    m_activeOffsets[j] += 1;
}

380
381
382
383
384
385
386
387
/**
 * @param i The index of a declared parameter
 * @return The index of declared parameter i in the list of active parameters or -1
 *         if the parameter is tied.
 */
int CompositeFunction::activeIndex(int i)const
{
  int iFun = functionIndex(i);
388
389
390
391
392
393
394
395
  int j = m_functions[iFun]->activeIndex(i - m_paramOffsets[iFun]);

  if (j == -1) 
  {
    return -1;
  }

  return m_activeOffsets[iFun] + j;
396
397
}

398
399
400
401
402
403
404
405
406
407
408
409
410
411
/** Makes sure that the function is consistent. 
 */
void CompositeFunction::checkFunction()
{
  m_nParams = 0;
  m_nActive = 0;
  m_paramOffsets.clear();
  m_activeOffsets.clear();
  m_iFunction.clear();
  m_iFunctionActive.clear();

  std::vector<IFunction*> functions(m_functions.begin(),m_functions.end());
  m_functions.clear();

412
  for(std::vector<IFunction*>::size_type i=0;i<functions.size();i++)
413
414
  {
    IFunction* f = functions[i];
415
416
    CompositeFunction* cf = dynamic_cast<CompositeFunction*>(f);
    if (cf) cf->checkFunction();
417
418
419
420
    addFunction(f);
  }
}

421
422
/** Add a function
 * @param f A pointer to the added function
423
 * @return The function index
424
 */
425
int CompositeFunction::addFunction(IFunction* f)
426
427
{
  m_iFunction.insert(m_iFunction.end(),f->nParams(),m_functions.size());
428
  m_iFunctionActive.insert(m_iFunctionActive.end(),f->nActive(),m_functions.size());
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
  m_functions.push_back(f);
  //?f->init();
  if (m_paramOffsets.size() == 0)
  {
    m_paramOffsets.push_back(0);
    m_activeOffsets.push_back(0);
    m_nParams = f->nParams();
    m_nActive = f->nActive();
  }
  else
  {
    m_paramOffsets.push_back(m_nParams);
    m_activeOffsets.push_back(m_nActive);
    m_nParams += f->nParams();
    m_nActive += f->nActive();
  }
445
  return m_functions.size()-1;
446
447
}

448
449
/** Remove a function
 * @param i The index of the function to remove
450
 * @param del The deletion flag. If true the function will be deleted otherwise - simply detached
451
 */
452
void CompositeFunction::removeFunction(int i, bool del)
453
454
455
456
457
458
459
460
461
462
463
464
{
  if ( i >= nFunctions() )
    throw std::out_of_range("Function index out of range.");

  IFunction* fun = getFunction(i);

  int dna = fun->nActive();
  int dnp = fun->nParams();

  for(int j=0;j<nParams();)
  {
    ParameterTie* tie = getTie(j);
465
    if (tie && tie->findParametersOf(fun))
466
467
468
469
470
471
472
473
474
475
    {
      removeTie(j);
    }
    else
    {
      j++;
    }
  }

  // Shift down the function indeces for parameters
476
  for(std::vector<int>::iterator it=m_iFunction.begin();it!=m_iFunction.end();)
477
  {
478

479
480
481
482
    if (*it == i)
    {
      it = m_iFunction.erase(it);
    }
483
    else
484
    {
485
486
487
488
489
      if (*it > i)
      {
        *it -= 1;
      }
      it++;
490
491
492
493
    }
  }

  // Shift down the function indeces for active parameters
494
  for(std::vector<int>::iterator it=m_iFunctionActive.begin();it!=m_iFunctionActive.end();)
495
496
497
498
499
  {
    if (*it == i)
    {
      it = m_iFunctionActive.erase(it);
    }
500
    else
501
    {
502
503
504
505
506
      if (*it > i)
      {
        *it -= 1;
      }
      it++;
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
    }
  }

  m_nActive -= dna;
  // Shift the active offsets down by the number of i-th function's active params
  for(int j=i+1;j<nFunctions();j++)
  {
    m_activeOffsets[j] -= dna;
  }
  m_activeOffsets.erase(m_activeOffsets.begin()+i);

  m_nParams -= dnp;
  // Shift the parameter offsets down by the total number of i-th function's params
  for(int j=i+1;j<nFunctions();j++)
  {
    m_paramOffsets[j] -= dnp;
  }
  m_paramOffsets.erase(m_paramOffsets.begin()+i);

  m_functions.erase(m_functions.begin()+i);
527
528
529
530
  if (del)
  {
    delete fun;
  }
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
}

/** Replace a function with a new one. The old function is deleted.
 * @param i The index of the function to replace
 * @param f A pointer to the new function
 */
void CompositeFunction::replaceFunction(int i,IFunction* f)
{
  if ( i >= nFunctions() )
    throw std::out_of_range("Function index out of range.");

  IFunction* fun = getFunction(i);
  int na_old = fun->nActive();
  int np_old = fun->nParams();

  int na_new = f->nActive();
  int np_new = f->nParams();

  // Modify function indeces: The new function may have different number of parameters
  {
    std::vector<int>::iterator itFun = std::find(m_iFunction.begin(),m_iFunction.end(),i);
552
    if(itFun != m_iFunction.end()) // functions must have at least 1 parameter
553
    {
554
555
556
557
558
559
560
561
      if (np_old > np_new)
      {
        m_iFunction.erase(itFun,itFun + np_old - np_new);
      }
      else if (np_old < np_new) 
      {
        m_iFunction.insert(itFun,np_new - np_old,i);
      }
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
    }
  }

  // Modify function indeces: The new function may have different number of active parameters
  {
    std::vector<int>::iterator itFun = std::find(m_iFunctionActive.begin(),m_iFunctionActive.end(),i);
    if (itFun != m_iFunctionActive.end())
    {
      if (na_old > na_new)
      {
        m_iFunctionActive.erase(itFun,itFun + na_old - na_new);
      }
      else if (na_old < na_new) 
      {
        m_iFunctionActive.insert(itFun,na_new - na_old,i);
      }
    }
    else if (na_new > 0)
    {
      itFun = std::find_if(m_iFunctionActive.begin(),m_iFunctionActive.end(),std::bind2nd(std::greater<int>(),i));
      m_iFunctionActive.insert(itFun,na_new,i);
    }
  }

  int dna = na_new - na_old;
  m_nActive += dna;
  // Recalc the active offsets 
  for(int j=i+1;j<nFunctions();j++)
  {
    m_activeOffsets[j] += dna;
  }

  int dnp = np_new - np_old;
  m_nParams += dnp;
  // Shift the parameter offsets down by the total number of i-th function's params
  for(int j=i+1;j<nFunctions();j++)
  {
    m_paramOffsets[j] += dnp;
  }

  m_functions[i] = f;
  delete fun;
}

606
607
608
609
/**
 * @param i The index of the function
 */
IFunction* CompositeFunction::getFunction(int i)const
610
{
611
612
  if ( i >= nFunctions()  || i < 0)
  {
613
    throw std::out_of_range("Function index out of range.");
614
  }
615
616
617
  return m_functions[i];
}

618
619
620
621
622
623
/**
 * Get the index of the function to which parameter i belongs
 * @param i The parameter index
 */
int CompositeFunction::functionIndex(int i)const
{
624
625
  if (i >= nParams() || i < 0)
  {
626
    throw std::out_of_range("Function parameter index out of range.");
627
  }
628
629
630
631
632
633
634
635
636
  return m_iFunction[i];
}

/**
 * Get the index of the function to which parameter i belongs
 * @param i The active parameter index
 */
int CompositeFunction::functionIndexActive(int i)const
{
637
  if (i >= nParams() || i < 0)
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
    throw std::out_of_range("Function parameter index out of range.");
  return m_iFunctionActive[i];
}

/**
* @param varName The variable name which may contain function index ( [f<index.>]name )
* @param index Receives function index or -1 
* @param name Receives the parameter name
*/
void CompositeFunction::parseName(const std::string& varName,int& index, std::string& name)
{
  size_t i = varName.find('.');
  if (i == std::string::npos)
  {
    name = varName;
    index = -1;
    return;
  }
  else
  {
    if (varName[0] != 'f')
      throw std::invalid_argument("External function parameter name must start with 'f'");

    std::string sindex = varName.substr(1,i-1);
    index = boost::lexical_cast<int>(sindex);

    if (i == varName.size() - 1)
      throw std::invalid_argument("Name cannot be empty");

    name = varName.substr(i+1);
  }
}

671
672
673
674
675
676
677
678
679
680
/** Returns the index of parameter i as it declared in its function
 * @param i The parameter index
 * @return The local index of the parameter
 */
int CompositeFunction::parameterLocalIndex(int i)const
{
  int iFun = functionIndex(i);
  return i - m_paramOffsets[iFun];
}

681
682
683
684
685
686
687
688
689
690
/** Returns the name of parameter i as it declared in its function
 * @param i The parameter index
 * @return The pure parameter name (without the function identifier f#.)
 */
std::string CompositeFunction::parameterLocalName(int i)const
{
  int iFun = functionIndex(i);
  return m_functions[ iFun ]->parameterName(i - m_paramOffsets[iFun]);
}

691
692
693
694
695
696
/** Initialize the function providing it the workspace
 * @param workspace The shared pointer to a workspace to which the function will be fitted
 * @param spec The number of a spectrum for fitting
 * @param xMin The minimum bin index of spectrum spec that will be used in fitting
 * @param xMax The maximum bin index of spectrum spec that will be used in fitting
 */
697
void CompositeFunction::setWorkspace(boost::shared_ptr<const API::MatrixWorkspace> workspace,int spec,int xMin,int xMax)
698
{
699
  IFunction::setWorkspace(workspace,spec,xMin,xMax);
700
  for(int i=0;i<nFunctions();i++)
701
    getFunction(i)->setWorkspace(workspace,spec,xMin,xMax);
702
703
}

704
/**
705
 * Apply the ties.
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
 */
void CompositeFunction::applyTies()
{
  for(int i=0;i<nFunctions();i++)
  {
    getFunction(i)->applyTies();
  }
}

/**
 * Clear the ties. 
 */
void CompositeFunction::clearTies()
{
  for(int i=0;i<nFunctions();i++)
  {
    getFunction(i)->clearTies();
  }
}

/** Removes i-th parameter's tie if it is tied or does nothing.
 * @param i The index of the tied parameter.
 * @return True if successfull
 */
bool CompositeFunction::removeTie(int i)
{
  int iFun = functionIndex(i);
  bool res = m_functions[ iFun ]->removeTie(i - m_paramOffsets[iFun]);
  if (res)
  {
    m_nActive++;
  }
  return res;
}

/** Get the tie of i-th parameter
742
743
 * @param i The parameter index
 * @return A pointer to the tie.
744
745
746
747
748
749
750
751
752
753
754
755
756
 */
ParameterTie* CompositeFunction::getTie(int i)const
{
  int iFun = functionIndex(i);
  return m_functions[ iFun ]->getTie(i - m_paramOffsets[iFun]);
}

/**
 * Attaches a tie to this function. The attached tie is owned by the function.
 * @param tie A pointer to a new tie
 */
void CompositeFunction::addTie(ParameterTie* tie)
{
757
  int i = getParameterIndex(*tie);
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
  if (i < 0)
  {
    throw std::logic_error("Trying to use a tie on a parameter not belonging to this function");
  }
  int iFun = functionIndex(i);
  m_functions[iFun]->addTie(tie);
}

/**
 * Declare a new parameter. To used in the implementation'c constructor.
 * @param name The parameter name.
 * @param initValue The initial value for the parameter
 */
void CompositeFunction::declareParameter(const std::string& name,double initValue )
{
  throw Kernel::Exception::NotImplementedError("CompositeFunction cannot not have its own parameters.");
}

/** Add a constraint
 *  @param ic Pointer to a constraint.
 */
void CompositeFunction::addConstraint(IConstraint* ic)
{
781
782
783
  int i = getParameterIndex(*ic);
  int iFun = functionIndex(i);
  getFunction(iFun)->addConstraint(ic);
784
785
}

786
787
788
789
790
791
792
793
void CompositeFunction::setParametersToSatisfyConstraints()
{
  for(int i=0;i<nFunctions();i++)
  {
    getFunction(i)->setParametersToSatisfyConstraints();
  }
}

794
/// Get first constraint
795
IConstraint* CompositeFunction::firstConstraint()const
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
{
  m_iConstraintFunction = 0;
  if (nFunctions() == 0) 
  {
    return 0;
  }
  IConstraint* c = 0;
  while(m_iConstraintFunction < nFunctions()
    && !(c = getFunction(m_iConstraintFunction)->firstConstraint()) )
  {
    m_iConstraintFunction++;
  }
  return c;
}

/// Get next constraint
812
IConstraint* CompositeFunction::nextConstraint()const
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
{
  if (nFunctions() == 0) 
  {
    return 0;
  }
  if (m_iConstraintFunction >= nFunctions()-1)
  {
    return getFunction(m_iConstraintFunction)->nextConstraint();
  }
  IConstraint* c = getFunction(m_iConstraintFunction)->nextConstraint();
  if (c)
  {
    return c;
  }
  ++m_iConstraintFunction;
  return getFunction(m_iConstraintFunction)->firstConstraint();
}

831
832
833
834
835
836
837
838
839
840
/** Remove a constraint
 * @param parName The name of a parameter which constarint to remove.
 */
void CompositeFunction::removeConstraint(const std::string& parName)
{
  int iPar = parameterIndex(parName);
  int iFun = functionIndex(iPar);
  getFunction(iFun)->removeConstraint(parameterLocalName(iPar));
}

841
842
843
844
845
846
847
848
849
/** 
 *  @param i The parameter index
 */
bool CompositeFunction::isExplicitlySet(int i)const
{
  int iFun = functionIndex(i);
  return m_functions[ iFun ]->isExplicitlySet(i - m_paramOffsets[iFun]);
}

850
851
852
853
854
855
856
/**
 * Returns the index of parameter if the ref points to one of the member function or -1
 * @param ref A reference to a parameter
 * @return Parameter index or -1
 */
int CompositeFunction::getParameterIndex(const ParameterReference& ref)const
{
857
  if (ref.getFunction() == this && ref.getIndex() < nParams())
858
859
860
  {
    return ref.getIndex();
  }
861
862
863
864
865
866
867
868
  for(int iFun=0;iFun<nFunctions();iFun++)
  {
    int iLocalIndex = getFunction(iFun)->getParameterIndex(ref);
    if (iLocalIndex >= 0)
    {
      return m_paramOffsets[iFun] + iLocalIndex;
    }
  }
869
870
871
  return -1;
}

872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
/**
 * @param ref The reference
 * @return A function containing parameter pointed to by ref
 */
IFunction* CompositeFunction::getContainingFunction(const ParameterReference& ref)const
{
  if (ref.getFunction() == this && ref.getIndex() < nParams())
  {
    return ref.getFunction();
  }
  for(int iFun=0;iFun<nFunctions();iFun++)
  {
    IFunction* fun = getFunction(iFun)->getContainingFunction(ref);
    if (fun)
    {
      return getFunction(iFun);
    }
  }
  return NULL;
}
892

893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
/**
 * @param fun The searched function
 * @return A function containing the argument function fun
 */
IFunction* CompositeFunction::getContainingFunction(const IFunction* fun)
{
  if (fun == this)
  {
    return this;
  }
  for(int iFun=0;iFun<nFunctions();iFun++)
  {
    IFunction* f = getFunction(iFun)->getContainingFunction(fun);
    if (f)
    {
      return getFunction(iFun);
    }
  }
  return NULL;
}

914
915
} // namespace API
} // namespace Mantid