File size: 11,573 Bytes
7e59e4c
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
// Copyright (C) 2021 - 2024 by Pedro Mendes, Rector and Visitors of the
// University of Virginia, University of Heidelberg, and University
// of Connecticut School of Medicine.
// All rights reserved.

#include "catch.hpp"

extern std::string getTestFile(const std::string & fileName);

#include <copasi/CopasiTypes.h>
#include <copasi/utilities/CCopasiException.h>
#include <sbml/SBMLTypes.h>
#include <sedml/SedTypes.h>

TEST_CASE("exporting sedml file with non-zero initial time", "[copasi][sedml]")
{
  auto * dm = CRootContainer::addDatamodel();
  REQUIRE(dm != nullptr);

  dm->newModel(NULL, true);

  auto * model = dm->getModel();

  auto * r = model->createReaction("R1");
  r->setReactionScheme("A -> B");

  model->setInitialTime(10.0);
  model->updateInitialValues(model->getInitialValueReference(), false);

  auto & task = dynamic_cast<CTrajectoryTask&>((*dm->getTaskList())["Time-Course"]);
  task.setScheduled(true);
  auto * problem = dynamic_cast< CTrajectoryProblem * >(task.getProblem());
  REQUIRE(problem != nullptr);

  problem->setDuration(10);
  problem->setStepNumber(100);

  std::string sedml = dm->exportSEDMLToString(NULL, 1, 4);

  REQUIRE(sedml.find("<uniformTimeCourse id=\"sim1\" initialTime=\"10") != std::string::npos);

  // now lets try and read it back in ensuring that the initial time is being set.
  model->setInitialTime(0.0);
  model->updateInitialValues(model->getInitialValueReference(), false);
  // also reset the task values, to see that hey are updated correctly
  problem->setDuration(1);
  problem->setStepNumber(10);

  auto * doc = readSedMLFromString(sedml.c_str());
  REQUIRE(doc->getNumErrors(LIBSEDML_SEV_ERROR) == 0);

  auto * sim = dynamic_cast<SedUniformTimeCourse*>(doc->getSimulation(0));
  REQUIRE(sim != nullptr);

  SEDMLImporter imp;
  imp.setDataModel(dm);
  imp.initializeContent();
  imp.setSEDMLDocument(doc);
  imp.setCopasiModel(model);
  imp.updateCopasiTaskForSimulation(sim, dm->getTaskList());

  REQUIRE(problem->getDuration() == 10);
  REQUIRE(problem->getStepNumber() == 100);

  delete doc;

  CRootContainer::removeDatamodel(dm);
}

TEST_CASE("exporting sedml file with non-zero start time", "[copasi][sedml]")
{
  auto * dm = CRootContainer::addDatamodel();
  REQUIRE(dm != nullptr);

  dm->newModel(NULL, true);

  auto * model = dm->getModel();

  auto * r = model->createReaction("R1");
  r->setReactionScheme("A -> B");

  auto & task = dynamic_cast< CTrajectoryTask & >((*dm->getTaskList())["Time-Course"]);
  task.setScheduled(true);
  auto * problem = dynamic_cast< CTrajectoryProblem * >(task.getProblem());
  REQUIRE(problem != nullptr);

  problem->setOutputStartTime(5);
  problem->setDuration(10);
  problem->setStepNumber(40);

  std::string sedml = dm->exportSEDMLToString(NULL, 1, 4);

  // also reset the task values, to see that hey are updated correctly
  problem->setDuration(1);
  problem->setStepNumber(10);

  auto * doc = readSedMLFromString(sedml.c_str());
  REQUIRE(doc->getNumErrors(LIBSEDML_SEV_ERROR) == 0);

  auto * sim = dynamic_cast< SedUniformTimeCourse * >(doc->getSimulation(0));
  REQUIRE(sim != nullptr);
  REQUIRE(sim->getInitialTime() == 0);
  REQUIRE(sim->getOutputStartTime() == 5);
  REQUIRE(sim->getOutputEndTime() == 10);
  REQUIRE(sim->getNumberOfPoints() == 20);

  SEDMLImporter imp;
  imp.setDataModel(dm);
  imp.initializeContent();
  imp.setSEDMLDocument(doc);
  imp.setCopasiModel(model);
  imp.updateCopasiTaskForSimulation(sim, dm->getTaskList());

  REQUIRE(problem->getOutputStartTime() == 5);
  REQUIRE(problem->getDuration() == 10);
  REQUIRE(problem->getStepNumber() == 40);

  delete doc;

  CRootContainer::removeDatamodel(dm);
}

TEST_CASE("convert sedml types and colors", "[copasi][sedml]")
{
  REQUIRE(SEDMLUtils::argbToRgba("112233") == "#112233");
  REQUIRE(SEDMLUtils::argbToRgba("#F0C800") == "#F0C800");
  REQUIRE(SEDMLUtils::argbToRgba("#FFF0C800") == "#F0C800FF");
  REQUIRE(SEDMLUtils::argbToRgba("FFF0C800") == "#F0C800FF");
  REQUIRE(SEDMLUtils::argbToRgba("FFF0C800", false) == "F0C800FF");
  REQUIRE(SEDMLUtils::argbToRgba("#FF0000", false) == "FF0000");

  REQUIRE(SEDMLUtils::rgbaToArgb("112233") == "#112233");
  REQUIRE(SEDMLUtils::rgbaToArgb("#F0C800") == "#F0C800");
  REQUIRE(SEDMLUtils::rgbaToArgb("#F0C800FF") == "#FFF0C800");
  REQUIRE(SEDMLUtils::rgbaToArgb("F0C800FF") == "#FFF0C800");
  REQUIRE(SEDMLUtils::rgbaToArgb("F0C800FF", false) == "FFF0C800");
  REQUIRE(SEDMLUtils::rgbaToArgb("#FF0000", false) == "FF0000");

  REQUIRE(SEDMLUtils::lineTypeFromSed(SEDML_LINETYPE_SOLID) == (int) CPlotItem::LineStyle::Solid);
  REQUIRE(SEDMLUtils::lineTypeFromSed(SEDML_LINETYPE_DASH) == (int) CPlotItem::LineStyle::Dashed);
  REQUIRE(SEDMLUtils::lineTypeFromSed(SEDML_LINETYPE_DOT) == (int) CPlotItem::LineStyle::Dotted);

  REQUIRE(SEDMLUtils::lineTypeToSed((int) CPlotItem::LineStyle::Solid) == SEDML_LINETYPE_SOLID);
  REQUIRE(SEDMLUtils::lineTypeToSed((int) CPlotItem::LineStyle::Dashed) == SEDML_LINETYPE_DASH);
  REQUIRE(SEDMLUtils::lineTypeToSed((int) CPlotItem::LineStyle::Dotted) == SEDML_LINETYPE_DOT);

  REQUIRE(SEDMLUtils::symbolFromSed(SEDML_MARKERTYPE_CIRCLE) == (int) CPlotItem::SymbolType::Circle);
  REQUIRE(SEDMLUtils::symbolFromSed(SEDML_MARKERTYPE_STAR) == (int) CPlotItem::SymbolType::Star);

  REQUIRE(SEDMLUtils::symbolToSed((int) CPlotItem::SymbolType::Circle) == SEDML_MARKERTYPE_CIRCLE);
  REQUIRE(SEDMLUtils::symbolToSed((int) CPlotItem::SymbolType::Star) == SEDML_MARKERTYPE_STAR);
  REQUIRE(SEDMLUtils::symbolToSed((int) CPlotItem::SymbolType::LargeCross) == SEDML_MARKERTYPE_PLUS);
  REQUIRE(SEDMLUtils::symbolToSed((int) CPlotItem::SymbolType::SmallCross) == SEDML_MARKERTYPE_PLUS);
  REQUIRE(SEDMLUtils::symbolToSed((int) CPlotItem::SymbolType::Plus) == SEDML_MARKERTYPE_PLUS);
}

TEST_CASE("importing new curves and plots", "[copasi][sedml]")
{
  auto * dm = CRootContainer::addDatamodel();
  REQUIRE(dm != nullptr);

  REQUIRE(
    dm->importSEDML(
      getTestFile("test-data/test_shaded_area_overlap_order.sedml")
    ) == true);

  auto* plots = dm->getPlotDefinitionList();
  REQUIRE(plots->size() == 1);

  // test that we can export it again
  std::string sedml = dm->exportSEDMLToString(NULL, 1, 4);

  // export with sbml namespaces
  CSEDMLExporter exp;
  exp.setSBMLNamespaces(3, 1);
  std::string sedmlwith_ns =
    exp.exportModelAndTasksToString(*dm, "model.xml", 1, 4);

  REQUIRE(sedmlwith_ns.find("http://www.sbml.org/sbml/level3/version1/core") != std::string::npos);

  CRootContainer::removeDatamodel(dm);
}

TEST_CASE("importing variables with terms", "[copasi][sedml]")
{
  auto * dm = CRootContainer::addDatamodel();
  REQUIRE(dm != nullptr);

  REQUIRE(dm->importSEDML(getTestFile("test-data/concentration_amount.sedml")) == true);

  auto * plots = dm->getPlotDefinitionList();
  REQUIRE(plots->size() == 3);

  CRootContainer::removeDatamodel(dm);
}

TEST_CASE("export / import nested scan", "[copasi][sedml]")
{
  auto * dm = CRootContainer::addDatamodel();
  REQUIRE(dm != nullptr);

  REQUIRE(dm->loadModel(getTestFile("test-data/NestedScan.cps"), NULL) == true);

  auto sedml = dm->exportSEDMLToString(NULL, 1, 4);

  auto * doc = readSedMLFromString(sedml.c_str());

  REQUIRE(doc->getNumErrors(LIBSEDML_SEV_ERROR) == 0);

  REQUIRE(doc->getDataGenerator("Rtot_1_task3") == NULL);
  REQUIRE(doc->getDataGenerator("Rtot_1_task5") != NULL);

  // the model has a timecourse, and a steady state scan with 3 variables, as such it should not be complex
  REQUIRE(SedmlInfo(doc).isComplex() == false);

  // if we had another time course then it should be complex
  {
    auto * task = doc->getTask(0)->clone();
    task->setId("anotherTaks");
    doc->getListOfTasks()->appendAndOwn(task);
    REQUIRE(SedmlInfo(doc).isComplex() == true);
  }

  delete doc;

  // now import
  SedmlImportOptions opts;
  opts.setSkipModelImport(true);
  dm->importSEDMLFromString(sedml, "", NULL, true, &opts);
  REQUIRE(dynamic_cast< CScanProblem * >(dm->getTaskList()->operator[]("Scan").getProblem())->getNumberOfScanItems() == 3);

  CRootContainer::removeDatamodel(dm);
}

TEST_CASE("Export different plot styles", "[copasi][sedml]")
{
  auto * dm = CRootContainer::addDatamodel();
  REQUIRE(dm != nullptr);

  REQUIRE(dm->loadModel(getTestFile("test-data/brusselator.cps"), NULL) == true);

  auto * m = dm->getModel();
  REQUIRE(m != NULL);

  // export sbml so we have sbml ids
  std::string sbml = dm->exportSBMLToString(NULL, 3, 1);

  // export sedml
  std::string sedml = dm->exportSEDMLToString(NULL, 1, 4);

  auto * doc = readSedMLFromString(sedml.c_str());

  REQUIRE(doc->getNumErrors(LIBSEDML_SEV_ERROR) == 0);

  delete doc;

  CRootContainer::removeDatamodel(dm);
}

TEST_CASE("generating variables with terms", "[copasi][sedml]")
{
  auto * dm = CRootContainer::addDatamodel();
  REQUIRE(dm != nullptr);

  REQUIRE(dm->loadModel(getTestFile("test-data/brusselator.cps"), NULL) == true);

  auto * m = dm->getModel();

  auto * pMV = m->createModelValue("g_mv", 1);

  // export to sbml so we have sbml ids for everything
  std::string sbml = dm->exportSBMLToString(NULL, 3, 1);

  {
    REQUIRE(VariableInfo(m).getSymbol() == SEDML_TIME_URN);
    REQUIRE(VariableInfo(m->getValueReference()).getSymbol() == SEDML_TIME_URN);
  }

  {
    REQUIRE(VariableInfo(&m->getCompartments()[0]).getXpath() == "/sbml:sbml/sbml:model/sbml:listOfCompartments/sbml:compartment[@id='compartment']");
    REQUIRE(VariableInfo(m->getCompartments()[0].getRateReference()).getTerm() == SEDML_KISAO_RATE);
  }

  {
    REQUIRE(VariableInfo(&m->getMetabolites()[0]).getXpath() == "/sbml:sbml/sbml:model/sbml:listOfSpecies/sbml:species[@id='X']");
    REQUIRE(VariableInfo(m->getMetabolites()[0].getConcentrationReference()).getTerm() == SEDML_KISAO_CONCENTRATION);
    REQUIRE(VariableInfo(m->getMetabolites()[0].getValueReference()).getTerm() == SEDML_KISAO_PARTICLENUMBER);
    REQUIRE(VariableInfo(m->getMetabolites()[0].getConcentrationRateReference()).getTerm() == SEDML_KISAO_CONCENTRATION_RATE);
    REQUIRE(VariableInfo(m->getMetabolites()[0].getRateReference()).getTerm() == SEDML_KISAO_PARTICLE_RATE);
  }

  {
    REQUIRE(VariableInfo(&m->getModelValues()[0]).getXpath() == "/sbml:sbml/sbml:model/sbml:listOfParameters/sbml:parameter[@id='g_mv']");
    REQUIRE(VariableInfo(m->getModelValues()[0].getRateReference()).getTerm() == SEDML_KISAO_RATE);
  }

  {
    REQUIRE(VariableInfo(&m->getReactions()[0]).getXpath() == "/sbml:sbml/sbml:model/sbml:listOfReactions/sbml:reaction[@id='R1']");
    REQUIRE(VariableInfo(m->getReactions()[0].getFluxReference()).getTerm() == SEDML_KISAO_FLUX);
    REQUIRE(VariableInfo(m->getReactions()[0].getParameterObjects("k1").at(0)).getXpath() == "/sbml:sbml/sbml:model/sbml:listOfReactions/sbml:reaction[@id='R1']/sbml:kineticLaw/sbml:listOfParameters/sbml:parameter[@id='k1']");
  }

  CRootContainer::removeDatamodel(dm);
}

TEST_CASE("importing document with remote model should fail", "[copasi][sedml]")
{
  // generate sedml

  auto* doc = new SedDocument(1, 4);
  auto* model = doc->createModel();
  model->setId("model");
  model->setLanguage("urn:sedml:language:sbml");
  model->setSource("urn:miriam:biomodels.db:BIOMD0000000005");
  auto sedml = writeSedMLToStdString(doc);
  delete doc;

  auto * dm = CRootContainer::addDatamodel();
  REQUIRE(dm != nullptr);

  try
    {
      dm->importSEDMLFromString(sedml, "", NULL, true);
    }
  catch (const CCopasiException& e)
    {
      REQUIRE(e.getMessage().getText().find("remote") != std::string::npos);
    }

  CRootContainer::removeDatamodel(dm);
}