UltraScan III
us_model_select.cpp
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1 
3 #include "us_model_select.h"
4 #include "us_model_adpars.h"
5 #include "us_long_messagebox.h"
6 #include "us_settings.h"
7 #include "us_gui_settings.h"
8 #include "us_sleep.h"
9 
10 // Main constructor with model index, models list, additional parameters list
11 US_ModelSelect::US_ModelSelect(
12  int& a_modelx,
13  QStringList& a_models,
14  QList< double >& a_udpars )
15  : US_WidgetsDialog( 0, 0 ),
16  smodelx ( a_modelx ),
17  models ( a_models ),
18  aud_pars ( a_udpars )
19 {
20  setAttribute ( Qt::WA_DeleteOnClose );
21  setWindowTitle( tr( "Model Selection - UltraScan Analysis" ) );
22  setPalette ( US_GuiSettings::frameColor() );
23  setMinimumSize( 400, 300 );
24 
25  // Main layout
26  QVBoxLayout* main = new QVBoxLayout( this );
27  main->setContentsMargins( 2, 2, 2, 2 );
28  main->setSpacing ( 2 );
29 
30  // Build the list of possible model selections
31  models.clear();
32  models << "1-Component, Ideal"
33  << "2-Component, Ideal, Noninteracting"
34  << "3-Component, Ideal, Noninteracting"
35  << "Fixed Molecular Weight Distribution"
36  << "Monomer-Dimer Equilibrium"
37  << "Monomer-Trimer Equilibrium"
38  << "Monomer-Tetramer Equilibrium"
39  << "Monomer-Pentamer Equilibrium"
40  << "Monomer-Hexamer Equilibrium"
41  << "Monomer-Heptamer Equilibrium"
42  << "User-Defined Monomer-Nmer Equilibrium"
43  << "Monomer-Dimer-Trimer Equilibrium"
44  << "Monomer-Dimer-Tetramer Equilibrium"
45  << "User-Defined Monomer - N-mer - M-mer Equilibrium"
46  << "2-Component Hetero-Association: A + B <=> AB"
47  << "User-Defined self/Hetero-Association: A + B <=> AB, nA <=> An"
48  << "User-Defined Monomer-Nmer, some monomer is incompetent"
49  << "User-Defined Monomer-Nmer, some Nmer is incompetent"
50  << "User-Defined irreversible Monomer-Nmer"
51  << "User-Defined Monomer-Nmer plus contaminant";
52 
53  // Main banner
54  QLabel* lb_mbanner = us_banner( tr( "Please Select a Model:" ) );
55  main->addWidget( lb_mbanner );
56 
57  // Models list widget
58  lw_models = us_listwidget();
59 
60  for ( int ii = 0; ii < models.size(); ii++ )
61  lw_models->addItem( models.at( ii ) );
62 
63  lw_models->setCurrentRow( 0 );
64  main->addWidget( lw_models );
65 
66  // Button Row
67  QHBoxLayout* buttons = new QHBoxLayout;
68 
69  QPushButton* pb_help = us_pushbutton( tr( "Help" ) );
70  connect( pb_help, SIGNAL( clicked() ), SLOT( help() ) );
71  buttons->addWidget( pb_help );
72 
73  QPushButton* pb_cancel = us_pushbutton( tr( "Cancel" ) );
74  connect( pb_cancel, SIGNAL( clicked() ), SLOT( cancelled() ) );
75  buttons->addWidget( pb_cancel );
76 
77  QPushButton* pb_select = us_pushbutton( tr( "Select Model" ) );
78  connect( pb_select, SIGNAL( clicked() ), SLOT( selected() ) );
79  buttons->addWidget( pb_select );
80 
81  main->addLayout( buttons );
82 
83  resize( 480, 440 );
84 }
85 
86 // Cancel button: no models returned
87 void US_ModelSelect::cancelled()
88 {
89  smodelx = -1;
90  aud_pars.clear();
91 
92  reject();
93  close();
94 }
95 
96 // Select Model button: set up to return data information
97 void US_ModelSelect::selected()
98 {
99  aud_pars.clear();
100  smodelx = lw_models->selectedItems().size() > 0 ?
101  lw_models->currentRow() : -1;
102 
103  if ( smodelx == (-1) )
104  {
105  QMessageBox::information( this,
106  tr( "No Data Selected" ),
107  tr( "You have not selected any data.\nSelect Model or Cancel" ) );
108  return;
109  }
110 
111  switch( smodelx )
112  {
113  case 0:
114  case 1:
115  case 2:
116  case 4:
117  case 5:
118  case 6:
119  case 7:
120  case 8:
121  case 9:
122  case 11:
123  case 12:
124  case 14:
125  model_pars_0(); // get no additional parameters
126  break;
127  case 3:
128  model_pars_4(); // get 4 additional parameters
129  break;
130  case 10:
131  case 15:
132  case 16:
133  case 17:
134  case 18:
135  case 19:
136  model_pars_1(); // get 1 additional parameter
137  break;
138  case 13:
139  default:
140  model_pars_2(); // get 2 additional parameters
141  break;
142  }
143 
144  accept(); // Signal that selection was accepted
145  close();
146 }
147 
148 // Model select with no additional parameters
149 void US_ModelSelect::model_pars_0()
150 {
151  function_dialog();
152 }
153 
154 // Model select with 1 additional parameter
155 void US_ModelSelect::model_pars_1()
156 {
157  function_dialog();
158 
159  US_ModelAdPars* adiag = new US_ModelAdPars( 1, aud_pars );
160  adiag->exec();
161 }
162 
163 // Model select with 2 additional parameters
164 void US_ModelSelect::model_pars_2()
165 {
166  function_dialog();
167 
168  US_ModelAdPars* adiag = new US_ModelAdPars( 2, aud_pars );
169  adiag->exec();
170 }
171 
172 // Model select with 4 additional parameters
173 void US_ModelSelect::model_pars_4()
174 {
175  function_dialog();
176 
177  US_ModelAdPars* adiag = new US_ModelAdPars( 4, aud_pars );
178  adiag->exec();
179 }
180 
181 // Show model functions message dialog
182 void US_ModelSelect::function_dialog()
183 {
184  QString wtitle = models.at( smodelx ); // window title from list entry
185  QStringList comps;
186  comps.clear();
187  int notef = 1;
188 
189  // Get equation string and list of equation elements
190  QString fequ = function_equation( comps );
191 
192  // Use elements to generate terms-definition string
193  QString fcmp = function_components( comps, notef );
194 
195  // Initial message includes equation and terms definitions
196  QString msg = tr( "Fitting to Function:\n\n" ) + fequ + fcmp;
197 
198  // Add any notes for terms
199  msg = msg + tr( "\n* indicates that this parameter can be floated.\n" );
200 
201  if ( notef > 1 )
202  {
203  msg = msg +
204  tr( "\n** Equilibrium Constants are calculated in log of"
205  " molar units;\n conversion to concentration is performed in"
206  " the Model Control Windows.\n" );
207 
208  if ( notef > 2 )
209  msg = msg +
210  tr( "\n*** vbar_AB = ( vbar_A * M_A + vbar_B * M_B )"
211  " / ( M_A + M_B )\n" );
212  }
213 
214  // Show a long message dialog with model type explanation
215  US_LongMessageBox* textbox = new US_LongMessageBox( wtitle, msg );
216  textbox->exec();
217 
218  return;
219 }
220 
221 // Compose string showing function equation for a model selection
222 QString US_ModelSelect::function_equation( QStringList& comps )
223 {
224  QString msg = QString( "C(X) = " );
225  comps.clear();
226 
227  switch( smodelx )
228  { // Create unique function string and components (terms) list, ea. type
229  case 0: // 0: "1-Component, Ideal"
230  msg = msg + "exp[ (ln(A) + M * omega^2 * (1 - vbar * D)"
231  + " * (X^2 - Xr^2)) / (2 * R * T) ] + B";
232  comps << "X" << "Xr" << "Aa" << "M" << "E" << "D" << "R" << "T"
233  << "B";
234  break;
235  case 1: // 1: "2-Component, Ideal, Noninteracting"
236  msg = msg + "exp[ ln(A[1]) + M[1] * omega^2 * (1 - vbar[1] * D)"
237  + " * (X^2 - Xr^2) / (2 * R * T) ]\n"
238  + " + exp[ (ln(A[2]) + M[2] * omega^2 * (1 - vbar[2] * D) * "
239  + "(X^2 - Xr ^2) / (2 * R * T) ] + B";
240  comps << "X" << "Xr" << "Aa" << "M" << "D" << "R" << "T" << "B";
241  break;
242  case 2: // 2: "3-Component, Ideal, Noninteracting"
243  msg = msg + "exp[ ln(A[1]) + M[1] * omega^2 * (1 - vbar[1] * D)"
244  + " * (X^2 - Xr^2) / (2 * R * T) ]\n"
245  + " + exp[ (ln(A[2]) + M[2] * omega^2 * (1 - vbar[2] * D) * "
246  + "(X^2 - Xr^2) / (2 * R * T) ]\n"
247  + " + exp[ (ln(A[3]) + M[3] * omega^2 * (1 - vbar[3] * D) * "
248  + "(X^2 - Xr^2) / (2 * R * T) ] + B";
249  comps << "X" << "Xr" << "Aa" << "M" << "D" << "R" << "T" << "B";
250  break;
251  case 3: // 3: "Fixed Molecular Weight Distribution"
252  msg = msg + "A[i] * SUM[ exp[ M[i] * omega^2 * (1 - vbar[i] * D)"
253  + " * (X^2 - Xr^2) / (2 * R * T) ] ] + B\n";
254  comps << "X" << "Xr" << "Ai" << "Mi" << "D" << "R" << "T" << "B";
255  break;
256  case 4: // 4: "Monomer-Dimer Equilibrium"
257  msg = msg + "exp[ (ln(A) + M * omega^2 * (1 - vbar * D)"
258  + " * (X^2 - Xr^2)) / (2 * R * T) ]\n"
259  + " + exp[ (2 * (ln(A) + ln(2/(E*L)) + ln(K1,2) + 2 * M * omega^2"
260  + " * (1 - vbar * D) * (X^2 - Xr^2)) / (2 * R * T) ] + B";
261  comps << "X" << "Xr" << "Aa" << "E" << "L" << "K1" << "M" << "D"
262  << "R" << "T" << "B";
263  break;
264  case 5: // 5: "Monomer-Trimer Equilibrium"
265  msg = msg + "exp[ (ln(A) + M * omega^2 * (1 - vbar * D)"
266  + " * (X^2 - Xr^2)) / (2 * R * T) ]\n"
267  + " + exp[ (3 * (ln(A) + ln(3/(E*L)^2) + ln(K1,3) + 3 * M *"
268  + " omega^2 * (1 - vbar * D) * (X^2 - Xr^2)) / (2 * R * T) ] + B";
269  comps << "X" << "Xr" << "Aa" << "E" << "L" << "K1" << "M" << "D"
270  << "R" << "T" << "B";
271  break;
272  case 6: // 6: "Monomer-Tetramer Equilibrium"
273  msg = msg + "exp[ (ln(A) + M * omega^2 * (1 - vbar * D)"
274  + " * (X^2 - Xr^2)) / (2 * R * T) ]\n"
275  + " + exp[ (4 * (ln(A) + ln(4/(E*L)^3) + ln(K1,4) + 4 * M *"
276  + " omega^2 * (1 - vbar * D) * (X^2 - Xr^2)) / (2 * R * T) ] + B";
277  comps << "X" << "Xr" << "Aa" << "E" << "L" << "K1" << "M" << "D"
278  << "R" << "T" << "B";
279  break;
280  case 7: // 7: "Monomer-Pentamer Equilibrium"
281  msg = msg + "exp[ (ln(A) + M * omega^2 * (1 - vbar * D)"
282  + " * (X^2 - Xr^2)) / (2 * R * T) ]\n"
283  + " + exp[ (5 * (ln(A) + ln(5/(E*L)^4) + ln(K1,5) + 5 * M *"
284  + " omega^2 * (1 - vbar * D) * (X^2 - Xr^2)) / (2 * R * T) ] + B";
285  comps << "X" << "Xr" << "Aa" << "E" << "L" << "K1" << "M" << "D"
286  << "R" << "T" << "B";
287  break;
288  case 8: // 8: "Monomer-Hexamer Equilibrium"
289  msg = msg + "exp[ (ln(A) + M * omega^2 * (1 - vbar * D)"
290  + " * (X^2 - Xr^2)) / (2 * R * T) ]\n"
291  + " + exp[ (6 * (ln(A) + ln(6/(E*L)^5) + ln(K1,6) + 6 * M *"
292  + " omega^2 * (1 - vbar * D) * (X^2 - Xr^2)) / (2 * R * T) ] + B";
293  comps << "X" << "Xr" << "Aa" << "E" << "L" << "K1" << "M" << "D"
294  << "R" << "T" << "B";
295  break;
296  case 9: // 9: "Monomer-Heptamer Equilibrium"
297  msg = msg + "exp[ (ln(A) + M * omega^2 * (1 - vbar * D)"
298  + " * (X^2 - Xr^2)) / (2 * R * T) ]\n"
299  + " + exp[ (7 * (ln(A) + ln(7/(E*L)^6) + ln(K1,7) + 7 * M *"
300  + " omega^2 * (1 - vbar * D) * (X^2 - Xr^2)) / (2 * R * T) ] + B";
301  comps << "X" << "Xr" << "Aa" << "E" << "L" << "K1" << "M" << "D"
302  << "R" << "T" << "B";
303  break;
304  case 10: // 10: "User-Defined Monomer-Nmer Equilibrium"
305  msg = msg + "exp[ (ln(A) + M * omega^2 * (1 - vbar * D)"
306  + " * (X^2 - Xr^2)) / (2 * R * T) ]\n"
307  + " + exp[ (N * ln(A) + ln(N/(E*L)^(N-1)) + ln(K1,N) + N * M *"
308  + " omega^2 * (1 - vbar * D) * (X^2 - Xr^2)) / (2 * R * T) ] + B";
309  comps << "X" << "Xr" << "Aa" << "E" << "L" << "K1" << "N" << "M"
310  << "D" << "R" << "T" << "B";
311  break;
312  case 11: // 11: "Monomer-Dimer-Trimer Equilibrium"
313  msg = msg + "exp[ (ln(A) + M * omega^2 * (1 - vbar * D)"
314  + " * (X^2 - Xr^2)) / (2 * R * T) ]\n"
315  + " + exp[ (2 * (ln(A) + ln(2/(E*L)) + ln(K1,2) + 2 * M * omega^2"
316  + " * (1 - vbar * D) * (X^2 - Xr^2)) / (2 * R * T) ]\n"
317  + " + exp[ (3 * (ln(A) + ln(3/(E*L)^2) + ln(K1,3) + 3 * M *"
318  + " omega^2 * (1 - vbar * D) * (X^2 - Xr^2)) / (2 * R * T) ] + B";
319  comps << "X" << "Xr" << "Aa" << "E" << "L" << "K1" << "M" << "D"
320  << "R" << "T" << "B";
321  break;
322  case 12: // 12: "Monomer-Dimer-Tetramer Equilibrium"
323  msg = msg + "exp[ (ln(A) + M * omega^2 * (1 - vbar * D)"
324  + " * (X^2 - Xr^2)) / (2 * R * T) ]\n"
325  + " + exp[ (2 * (ln(A) + ln(2/(E*L)) + ln(K1,2) + 2 * M * omega^2"
326  + " * (1 - vbar * D) * (X^2 - Xr^2)) / (2 * R * T) ]\n"
327  + " + exp[ (4 * (ln(A) + ln(4/(E*L)^3) + ln(K1,4) + 4 * M *"
328  + " omega^2 * (1 - vbar * D) * (X^2 - Xr^2)) / (2 * R * T) ] + B";
329  comps << "X" << "Xr" << "Aa" << "E" << "L" << "K1" << "M" << "D"
330  << "R" << "T" << "B";
331  break;
332  case 13: // 13: "User-Defined Monomer - N-mer - M-mer Equilibrium"
333  msg = msg + "exp[ (ln(A) + M * omega^2 * (1 - vbar * D)"
334  + " * (X^2 - Xr^2)) / (2 * R * T) ]\n"
335  + " + exp[ (N1 * (ln(A) + ln(N1/(E*L)^(N1 - 1)) + ln(K1,N1) + N1 *"
336  + " M * omega^2 * (1 - vbar * D) * (X^2 - Xr^2)) / (2 * R * T) ]\n"
337  + " + exp[ (N2 * (ln(A) + ln(N2/(E*L)^(N2 - 1)) + ln(K1,N2) + N2 *"
338  + " M * omega^2 * (1 - vbar * D) * (X^2 - Xr^2)) / (2 * R * T) ] + B";
339  comps << "X" << "Xr" << "Aa" << "E" << "L" << "N1" << "N2" << "K1"
340  << "M" << "D" << "R" << "T" << "B";
341  break;
342  case 14: // 14: "2-Component Hetero-Association: A + B <=> AB"
343  msg = msg + "exp[ (ln(A) + M_A * omega^2 * (1 - vbar_A * D)"
344  + " * (X^2 - Xr^2)) / (2 * R * T) ]\n"
345  + " + exp[ (ln(B) + M_B * omega^2 * (1 - vbar_B * D) *"
346  + " (X^2 - Xr^2)) / (2 * R * T) ]\n"
347  + " + exp[ (ln(A) + ln(B) + ln(K_AB) + ln(E_AB/(E_A * E_B * L))"
348  + " + (M_A + M_B) * omega^2 * (1 - vbar_AB * D) * (X^2 - Xr^2)) /"
349  + " (2 * R * T) ] + B";
350  comps << "X" << "Xr" << "Aa" << "Ab" << "E" << "L" << "KC" << "MA"
351  << "MB" << "MC" << "D" << "R" << "T" << "B";
352  break;
353  case 15: // 15: "U-Defined self/Hetero-Assoc.: A + B <=> AB, nA <=> An"
354  msg = msg + "exp[ (ln(A) + M_A * omega^2 * (1 - vbar_A * D)"
355  + " * (X^2 - Xr^2)) / (2 * R * T) ]\n"
356  + " + exp[ (ln(B) + M_B * omega^2 * (1 - vbar_B * D) *"
357  + " (X^2 - Xr^2)) / (2 * R * T) ]\n"
358  + " + exp[ (ln(A) + ln(B) + ln(K_AB) + ln(E_AB/(E_A * E_B * L))"
359  + " + (M_A + M_B) * omega^2 * (1 - vbar_AB * D) * (X^2 - Xr^2)) /"
360  + " (2 * R * T) ]\n"
361  + " + exp[ (N *ln(A) + ln(N/(E*L)^(N-1)) + ln(K1,N) + N * M_A"
362  + " * omega^2 * (1 - vbar_A * D) * (X^2 - Xr^2)) /"
363  + " (2 * R * T) ] + B";
364  comps << "X" << "Xr" << "Aa" << "Ab" << "E" << "L" << "KC" << "KN"
365  << "MA" << "MB" << "MC" << "VA" << "VB" << "VC"
366  << "D" << "R" << "T" << "B";
367  break;
368  case 16: // 16: "U-Defined Monomer-Nmer, some monomer is incompetent"
369  msg = msg + "exp[ (ln(A1) + M * omega^2 * (1 - vbar * D)"
370  + " * (X^2 - Xr^2)) / (2 * R * T) ]\n"
371  + " + exp[ (N * ln(A1) + ln(N/(E * L)^(N - 1) + ln(K1,N) +"
372  + " N * M * omega^2 * (1 - vbar * D) * (X^2 - Xr^2)) /"
373  + " (2 * R * T) ]\n"
374  + " + exp[ (ln(A2) + M * omega^2 * (1 - vbar * D) *"
375  + " (X^2 - Xr^2)) / (2 * R * T) ] + B";
376  comps << "N" << "X" << "Xr" << "Aa" << "E" << "L" << "K1"
377  << "M" << "A1" << "A2" << "D" << "R" << "T" << "B";
378  break;
379  case 17: // 17: "User-Defined Monomer-Nmer, some Nmer is incompetent"
380  msg = msg + "exp[ (ln(A1) + M * omega^2 * (1 - vbar * D)"
381  + " * (X^2 - Xr^2)) / (2 * R * T) ]\n"
382  + " + exp[ (N * ln(A1) + ln(N/(E * L)^(N - 1) + ln(K1,N) +"
383  + " N * M * omega^2 * (1 - vbar * D) * (X^2 - Xr^2)) /"
384  + " (2 * R * T) ]\n"
385  + " + exp[ (ln(A2) + N * M * omega^2 * (1 - vbar * D) *"
386  + " (X^2 - Xr^2)) / (2 * R * T) ] + B";
387  comps << "N" << "X" << "Xr" << "Aa" << "E" << "L" << "K1"
388  << "M" << "A1" << "A2" << "D" << "R" << "T" << "B";
389  break;
390  case 18: // 18: "User-Defined irreversible Monomer-Nmer"
391  msg = msg + "exp[ (ln(A1) + M * omega^2 * (1 - vbar * D)"
392  + " * (X^2 - Xr^2)) / (2 * R * T) ]\n"
393  + " + exp[ (N * ln(A1) + ln(N/(E * L)^(N - 1) + ln(K1,N) +"
394  + " N * M * omega^2 * (1 - vbar * D) * (X^2 - Xr^2)) /"
395  + " (2 * R * T) ]\n"
396  + " + exp[ (ln(A2) + M * omega^2 * (1 - vbar * D) *"
397  + " (X^2 - Xr^2)) / (2 * R * T) ]\n"
398  + " + exp[ (ln(A3) + N * M * omega^2 * (1 - vbar * D) *"
399  + " (X^2 - Xr^2)) / (2 * R * T) ] + B";
400  comps << "N" << "X" << "Xr" << "Aa" << "E" << "L" << "K1"
401  << "M" << "A1" << "A2" << "A3" << "D" << "R" << "T" << "B";
402  break;
403  case 19: // 19: "User-Defined Monomer-Nmer plus contaminant"
404  msg = msg + "exp[ (ln(A1) + M1 * omega^2 * (1 - vbar[1] * D)"
405  + " * (X^2 - Xr^2)) / (2 * R * T) ]\n"
406  + " + exp[ (N * ln(A1) + ln(N/(E * L)^(N - 1) + ln(K1,N) +"
407  + " N * M * omega^2 * (1 - vbar[1] * D) * (X^2 - Xr^2)) /"
408  + " (2 * R * T) ]\n"
409  + " + exp[ (ln(A2) + M2 * omega^2 * (1 - vbar[2] * D) *"
410  + " (X^2 - Xr^2)) / (2 * R * T) ] + B";
411  comps << "N" << "X" << "Xr" << "Aa" << "E" << "L" << "K1"
412  << "M1" << "M2" << "A1" << "A2" << "D" << "R" << "T" << "B";
413  break;
414  default:
415  break;
416  }
417 
418  return msg;
419 }
420 
421 // Compose string showing function equation components for a model selection
422 QString US_ModelSelect::function_components( QStringList& comps, int& notef )
423 {
424  notef = 1;
425  QString ms = tr( "\n\nwhere:\n" );
426 
427  // Add a component explanation line for each listed component
428  if ( comps.contains( "X" ) ) ms = ms + "\t"
429  + tr( "X = Radius\n" );
430  if ( comps.contains( "Xr" ) ) ms = ms + "\t"
431  + tr( "Xr = Reference Radius\n" );
432  if ( comps.contains( "Aa" ) ) ms = ms + "\t"
433  + tr( "A = Amplitude of component A *\n" );
434  if ( comps.contains( "Ab" ) ) ms = ms + "\t"
435  + tr( "B = Amplitude of component B *\n" );
436  if ( comps.contains( "N" ) ) ms = ms + "\t"
437  + tr( "N = User-Defined Association State\n" );
438  if ( comps.contains( "M" ) ) ms = ms + "\t"
439  + tr( "M = Molecular Weight *\n" );
440  if ( comps.contains( "E" ) ) ms = ms + "\t"
441  + tr( "E = Extinction Coefficient\n" );
442  if ( comps.contains( "L" ) ) ms = ms + "\t"
443  + tr( "L = Pathlength\n" );
444  if ( comps.contains( "Ai" ) ) ms = ms + "\t"
445  + tr( "A[i] = Amplitude of component \"i\" *\n" );
446  if ( comps.contains( "Mi" ) ) ms = ms + "\t"
447  + tr( "M[i] = Molecular Weight of component \"i\" *\n" );
448  if ( comps.contains( "N1" ) ) ms = ms + "\t"
449  + tr( "N1 = Stoichiometry of first Association\n" );
450  if ( comps.contains( "N2" ) ) ms = ms + "\t"
451  + tr( "N2 = Stoichiometry of second Association\n" );
452  if ( comps.contains( "K1" ) ) ms = ms + "\t"
453  + tr( "K1 = Monomer-Dimer Equilibrium Constant *,**\n" );
454  if ( comps.contains( "KB" ) ) ms = ms + "\t"
455  + tr( "K_AB = AB Equilibrium Constant *,**\n" );
456  if ( comps.contains( "KN" ) ) ms = ms + "\t"
457  + tr( "K_AN = A monomer-nmer Equilibrium Constant *,**\n" );
458  if ( comps.contains( "MA" ) ) ms = ms + "\t"
459  + tr( "M_A = Molecular Weight of A *\n" );
460  if ( comps.contains( "MB" ) ) ms = ms + "\t"
461  + tr( "M_B = Molecular Weight of B *\n" );
462  if ( comps.contains( "MC" ) ) ms = ms + "\t"
463  + tr( "M_AB = Molecular Weight of AB\n" );
464  if ( comps.contains( "M1" ) ) ms = ms + "\t"
465  + tr( "M1 = Monomer Molecular Weight *\n" );
466  if ( comps.contains( "M2" ) ) ms = ms + "\t"
467  + tr( "M2 = Contaminant Molecular Weight *\n" );
468  if ( comps.contains( "VA" ) ) ms = ms + "\t"
469  + tr( "vbar_A = vbar of A *\n" );
470  if ( comps.contains( "VB" ) ) ms = ms + "\t"
471  + tr( "vbar_B = vbar of B *\n" );
472  if ( comps.contains( "VC" ) ) ms = ms + "\t"
473  + tr( "vbar_AB = vbar of AB\n" );
474  if ( comps.contains( "D" ) ) ms = ms + "\t"
475  + tr( "D = Density Coefficient\n" );
476  if ( comps.contains( "R" ) ) ms = ms + "\t"
477  + tr( "R = Gas Constant\n" );
478  if ( comps.contains( "T" ) ) ms = ms + "\t"
479  + tr( "T = Temperature\n" );
480  if ( comps.contains( "A1" ) ) ms = ms + "\t"
481  + tr( "A1 = Reference Concentration of monomer *\n" );
482  if ( comps.contains( "A2" ) ) ms = ms + "\t"
483  + tr( "A2 = Reference Concentration of incompetent monomer *\n" );
484  if ( comps.contains( "A3" ) ) ms = ms + "\t"
485  + tr( "A3 = Reference Concentration of incompetent N-mer *\n" );
486  if ( comps.contains( "B" ) ) ms = ms + "\t"
487  + tr( "B = Baseline *\n" );
488 
489  // Set the number of notes to add (basicly, count of trailing asterisks)
490  notef = 1;
491 
492  if ( ms.contains( "**\n" ) )
493  notef = ms.contains( "***\n" ) ? 3 : 2;
494 
495  return ms;
496 }
497 
Generated on Sun Jun 21 2015 11:40:42 for UltraScan III by   doxygen 1.8.3.1-20130324