37
44
void createTestFeatureMapSimVector_(FeatureMapSimVector& feature_maps, bool add3rd)
41
FeatureMapSim fm1,fm2,fm3;
42
ProteinHit prothit1,prothit2,prothit3,prothit4,prothit5,prothit6,prothit7,prothit8,prothit9,prothit10, prothit11, prothit12;
45
prothit1.setSequence("AAAAAAAKAAAAA"); // 2 Fragmente AAAAAAAK und AAAAA und kommt in allen Channels vor
46
prothit1.setMetaValue("description", "test sequence 1");
47
prothit1.setAccession("ACC1");
48
prothit1.setMetaValue("intensity", 200.0);
50
prothit2.setSequence("CNARCNCNCN"); // 2 Fragmente CNAR und CNCNCN und kommt in allen Channels vor
51
prothit2.setMetaValue("description", "test sequence 2");
52
prothit2.setAccession("ACC2");
53
prothit2.setMetaValue("intensity", 80.0);
55
prothit3.setSequence("CNHAADDAAAAA"); // ungelabelt, einzelnes Fragment
56
prothit3.setMetaValue("description", "test sequence 3");
57
prothit3.setAccession("ACC3");
58
prothit3.setMetaValue("intensity", 100.0);
60
prothit4.setSequence("VNAAAAAARVNCNCNAAAA"); // Ergebnis: CNAAAAAAR(Label Medium_R) , CNCNCNAAAA (einmal kommt in allen Channels vor)
61
prothit4.setMetaValue("description", "test sequence 4");
62
prothit4.setAccession("ACC5");
63
prothit4.setMetaValue("intensity", 115.0);
65
ProteinIdentification protIdent1;
66
protIdent1.insertHit(prothit1);
67
protIdent1.insertHit(prothit2);
68
protIdent1.insertHit(prothit3);
69
protIdent1.insertHit(prothit4);
70
vector<ProteinIdentification> protIdents_vec1;
71
protIdents_vec1.push_back(protIdent1);
72
fm1.setProteinIdentifications(protIdents_vec1);
75
prothit5.setSequence("AAAAAAAKAAAAA"); // Ergbenis: AAAAAAAK(Label Medium_K) , AAAAA ( einmal kommt in allen Channels vor)
76
prothit5.setMetaValue("description", "test sequence 5");
77
prothit5.setAccession("ACC4");
78
prothit5.setMetaValue("intensity", 50.0);
80
prothit6.setSequence("CNARCNCNCN"); // Ergebnis: CNAR(Label Medium_R) , CNCNCN (einmal kommt in allen Channels vor)
81
prothit6.setMetaValue("description", "test sequence 6");
82
prothit6.setAccession("ACC5");
83
prothit6.setMetaValue("intensity", 100.0);
85
prothit7.setSequence("LDRCEL"); // Ergbenis : LDR(label Medium_R) , CEL (einmal kommt in channel 2 und 3 vor)
86
prothit7.setMetaValue("description", "test sequence 7");
87
prothit7.setAccession("ACC6");
88
prothit7.setMetaValue("intensity", 120.0);
90
prothit8.setSequence("VNAAAAAARVNCNCNAAAA"); // Ergebnis: CNAAAAAAR(Label Medium_R) , CNCNCNAAAA (einmal kommt in allen Channels vor)
91
prothit8.setMetaValue("description", "test sequence 8");
92
prothit8.setAccession("ACC5");
93
prothit8.setMetaValue("intensity", 110.0);
95
ProteinIdentification protIdent2;
96
protIdent2.insertHit(prothit5);
97
protIdent2.insertHit(prothit6);
98
protIdent2.insertHit(prothit7);
99
protIdent2.insertHit(prothit8);
100
vector<ProteinIdentification> protIdents_vec2;
101
protIdents_vec2.push_back(protIdent2);
102
fm2.setProteinIdentifications(protIdents_vec2);
104
feature_maps.push_back(fm1);
105
feature_maps.push_back(fm2);
109
prothit9.setSequence("AAAAAAAKAAAAA"); // Ergebnis : AAAAAAAK(Label Heavy_K) , AAAAA ( einmal kommt in allen Channels vor )
110
prothit9.setMetaValue("description", "test sequence 9");
111
prothit9.setAccession("ACC7");
112
prothit9.setMetaValue("intensity", 30.0);
114
prothit10.setSequence("CNARCNCNCN"); // Ergebnis: CNAR(Label Heavy_R) , CNCNCN (einmal kommt in allen Channels vor)
115
prothit10.setMetaValue("description", "test sequence 10");
116
prothit10.setAccession("ACC8");
117
prothit10.setMetaValue("intensity", 130.0);
119
prothit11.setSequence("LDRCEL"); //Ergebnis: LDR(label Heavy_R) , CEL (einmal kommt in channel 2 und 3 vor)
120
prothit11.setMetaValue("description", "test sequence 11");
121
prothit11.setAccession("ACC9");
122
prothit11.setMetaValue("intensity", 70.0);
124
prothit12.setSequence("YCYCY"); //Ergebnis: YCYCY kommt nur in diesem Channel vor
125
prothit12.setMetaValue("description", "test sequence 12");
126
prothit12.setAccession("ACC10");
127
prothit12.setMetaValue("intensity", 80.0);
129
ProteinIdentification protIdent3;
130
protIdent3.insertHit(prothit9);
131
protIdent3.insertHit(prothit10);
132
protIdent3.insertHit(prothit11);
133
protIdent3.insertHit(prothit12);
134
vector<ProteinIdentification> protIdents_vec3;
135
protIdents_vec3.push_back(protIdent3);
136
fm3.setProteinIdentifications(protIdents_vec3);
137
feature_maps.push_back(fm3);
48
FeatureMapSim fm1,fm2,fm3;
49
ProteinHit prothit1,prothit2,prothit3,prothit4,prothit5,prothit6,prothit7,prothit8,prothit9,prothit10, prothit11, prothit12;
52
prothit1.setSequence("AAAAAAAKAAAAA"); // 2 Fragmente AAAAAAAK und AAAAA und kommt in allen Channels vor
53
prothit1.setMetaValue("description", "test sequence 1");
54
prothit1.setAccession("ACC1");
55
prothit1.setMetaValue("intensity", 200.0);
57
prothit2.setSequence("CNARCNCNCN"); // 2 Fragmente CNAR und CNCNCN und kommt in allen Channels vor
58
prothit2.setMetaValue("description", "test sequence 2");
59
prothit2.setAccession("ACC2");
60
prothit2.setMetaValue("intensity", 80.0);
62
prothit3.setSequence("CNHAADDAAAAA"); // ungelabelt, einzelnes Fragment
63
prothit3.setMetaValue("description", "test sequence 3");
64
prothit3.setAccession("ACC3");
65
prothit3.setMetaValue("intensity", 100.0);
67
prothit4.setSequence("VNAAAAAARVNCNCNAAAA"); // Ergebnis: CNAAAAAAR(Label Medium_R) , CNCNCNAAAA (einmal kommt in allen Channels vor)
68
prothit4.setMetaValue("description", "test sequence 4");
69
prothit4.setAccession("ACC5");
70
prothit4.setMetaValue("intensity", 115.0);
72
ProteinIdentification protIdent1;
73
protIdent1.insertHit(prothit1);
74
protIdent1.insertHit(prothit2);
75
protIdent1.insertHit(prothit3);
76
protIdent1.insertHit(prothit4);
77
vector<ProteinIdentification> protIdents_vec1;
78
protIdents_vec1.push_back(protIdent1);
79
fm1.setProteinIdentifications(protIdents_vec1);
82
prothit5.setSequence("AAAAAAAKAAAAA"); // Ergbenis: AAAAAAAK(Label Medium_K) , AAAAA ( einmal kommt in allen Channels vor)
83
prothit5.setMetaValue("description", "test sequence 5");
84
prothit5.setAccession("ACC4");
85
prothit5.setMetaValue("intensity", 50.0);
87
prothit6.setSequence("CNARCNCNCN"); // Ergebnis: CNAR(Label Medium_R) , CNCNCN (einmal kommt in allen Channels vor)
88
prothit6.setMetaValue("description", "test sequence 6");
89
prothit6.setAccession("ACC5");
90
prothit6.setMetaValue("intensity", 100.0);
92
prothit7.setSequence("LDRCEL"); // Ergbenis : LDR(label Medium_R) , CEL (einmal kommt in channel 2 und 3 vor)
93
prothit7.setMetaValue("description", "test sequence 7");
94
prothit7.setAccession("ACC6");
95
prothit7.setMetaValue("intensity", 120.0);
97
prothit8.setSequence("VNAAAAAARVNCNCNAAAA"); // Ergebnis: CNAAAAAAR(Label Medium_R) , CNCNCNAAAA (einmal kommt in allen Channels vor)
98
prothit8.setMetaValue("description", "test sequence 8");
99
prothit8.setAccession("ACC5");
100
prothit8.setMetaValue("intensity", 110.0);
102
ProteinIdentification protIdent2;
103
protIdent2.insertHit(prothit5);
104
protIdent2.insertHit(prothit6);
105
protIdent2.insertHit(prothit7);
106
protIdent2.insertHit(prothit8);
107
vector<ProteinIdentification> protIdents_vec2;
108
protIdents_vec2.push_back(protIdent2);
109
fm2.setProteinIdentifications(protIdents_vec2);
111
feature_maps.push_back(fm1);
112
feature_maps.push_back(fm2);
116
prothit9.setSequence("AAAAAAAKAAAAA"); // Ergebnis : AAAAAAAK(Label Heavy_K) , AAAAA ( einmal kommt in allen Channels vor )
117
prothit9.setMetaValue("description", "test sequence 9");
118
prothit9.setAccession("ACC7");
119
prothit9.setMetaValue("intensity", 30.0);
121
prothit10.setSequence("CNARCNCNCN"); // Ergebnis: CNAR(Label Heavy_R) , CNCNCN (einmal kommt in allen Channels vor)
122
prothit10.setMetaValue("description", "test sequence 10");
123
prothit10.setAccession("ACC8");
124
prothit10.setMetaValue("intensity", 130.0);
126
prothit11.setSequence("LDRCEL"); //Ergebnis: LDR(label Heavy_R) , CEL (einmal kommt in channel 2 und 3 vor)
127
prothit11.setMetaValue("description", "test sequence 11");
128
prothit11.setAccession("ACC9");
129
prothit11.setMetaValue("intensity", 70.0);
131
prothit12.setSequence("YCYCY"); //Ergebnis: YCYCY kommt nur in diesem Channel vor
132
prothit12.setMetaValue("description", "test sequence 12");
133
prothit12.setAccession("ACC10");
134
prothit12.setMetaValue("intensity", 80.0);
136
ProteinIdentification protIdent3;
137
protIdent3.insertHit(prothit9);
138
protIdent3.insertHit(prothit10);
139
protIdent3.insertHit(prothit11);
140
protIdent3.insertHit(prothit12);
141
vector<ProteinIdentification> protIdents_vec3;
142
protIdents_vec3.push_back(protIdent3);
143
fm3.setProteinIdentifications(protIdents_vec3);
144
feature_maps.push_back(fm3);
142
149
void digestFeaturesMapSimVector_(FeatureMapSimVector& feature_maps)
145
DigestSimulation digest_sim;
147
p.setValue("model", "naive");
148
p.setValue("model_naive:missed_cleavages", 0);
149
digest_sim.setParameters(p);
150
std::cout << digest_sim.getParameters() << std::endl;
151
for(FeatureMapSimVector::iterator iter = feature_maps.begin() ; iter != feature_maps.end() ; ++iter)
153
digest_sim.digest((*iter));
152
DigestSimulation digest_sim;
154
p.setValue("model", "naive");
155
p.setValue("model_naive:missed_cleavages", 0);
156
digest_sim.setParameters(p);
157
std::cout << digest_sim.getParameters() << std::endl;
158
for(FeatureMapSimVector::iterator iter = feature_maps.begin() ; iter != feature_maps.end() ; ++iter)
160
digest_sim.digest((*iter));
157
START_TEST(ICPLLabeler, "$Id: ICPLLabeler_test.C 8944 2011-10-08 21:50:52Z aiche $")
164
START_TEST(ICPLLabeler, "$Id: ICPLLabeler_test.C 10915 2013-04-04 20:14:57Z aiche $")
158
165
/////////////////////////////////////////////////////////////
159
166
/////////////////////////////////////////////////////////////
161
168
ICPLLabeler* ptr = 0;
169
ICPLLabeler* nullPtr = 0;
162
171
START_SECTION(ICPLLabeler())
164
ptr = new ICPLLabeler();
165
TEST_NOT_EQUAL(ptr, 0)
173
ptr = new ICPLLabeler();
174
TEST_NOT_EQUAL(ptr, nullPtr)
169
178
START_SECTION(~ICPLLabeler())
175
184
START_SECTION((void setUpHook(FeatureMapSimVector &)))
177
std::cerr << "*********************************setUpHook*************************************" ;
180
FeatureMapSim fm1,fm2,fm3,fm4;
181
FeatureMapSimVector fm_vec;
183
fm_vec.push_back(fm1);
184
TEST_EXCEPTION_WITH_MESSAGE(Exception::IllegalArgument, labeler.setUpHook(fm_vec),"We currently support only 2- or 3-channel ICPL")
185
fm_vec.push_back(fm2);
186
labeler.setUpHook(fm_vec);
187
fm_vec.push_back(fm3);
188
labeler.setUpHook(fm_vec);
189
fm_vec.push_back(fm4);
190
TEST_EXCEPTION_WITH_MESSAGE(Exception::IllegalArgument, labeler.setUpHook(fm_vec),"We currently support only 2- or 3-channel ICPL")
186
std::cerr << "*********************************setUpHook*************************************" ;
189
FeatureMapSim fm1,fm2,fm3,fm4;
190
FeatureMapSimVector fm_vec;
192
fm_vec.push_back(fm1);
193
TEST_EXCEPTION_WITH_MESSAGE(Exception::IllegalArgument, labeler.setUpHook(fm_vec),"We currently support only 2- or 3-channel ICPL")
194
fm_vec.push_back(fm2);
195
labeler.setUpHook(fm_vec);
196
fm_vec.push_back(fm3);
197
labeler.setUpHook(fm_vec);
198
fm_vec.push_back(fm4);
199
TEST_EXCEPTION_WITH_MESSAGE(Exception::IllegalArgument, labeler.setUpHook(fm_vec),"We currently support only 2- or 3-channel ICPL")
194
203
START_SECTION((void postDigestHook(FeatureMapSimVector &)))
196
std::cerr <<"*********************************postDigestHook****************************************";
197
FeatureMapSimVector feature_maps;
205
std::cerr <<"*********************************postDigestHook****************************************";
206
FeatureMapSimVector feature_maps;
200
209
//*******************************Peptide-Labeling*******************************************
202
p1.setValue("label_proteins","true"); //set to true for protein_labeling
205
//************2 Channel Protein Labeler********************
206
createTestFeatureMapSimVector_(feature_maps, false);
208
ICPLLabeler protein_labeler;
209
protein_labeler.setParameters(p1);
211
protein_labeler.setUpHook(feature_maps); // Labeling
212
digestFeaturesMapSimVector_(feature_maps); // Digest
213
// maps are digested by now
214
protein_labeler.postDigestHook(feature_maps); // Merge
216
//�berpr�ft, ob das Ergebnis des Labelings und des Verdaus das erwartete Ergebnis ist.
217
TEST_EQUAL(feature_maps.size(), 1)
218
ABORT_IF(feature_maps.size() != 1)
220
TEST_EQUAL(feature_maps[0].size(), 12)
221
ABORT_IF(feature_maps[0].size() != 12)
223
TEST_EQUAL(feature_maps[0][0].getIntensity(), 50)
224
TEST_EQUAL(feature_maps[0][0].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))AAAAAAAK")
226
TEST_EQUAL(feature_maps[0][1].getIntensity(), 100)
227
TEST_EQUAL(feature_maps[0][1].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))CNAR")
229
TEST_EQUAL(feature_maps[0][2].getIntensity(), 120)
230
TEST_EQUAL(feature_maps[0][2].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))LDR")
232
TEST_EQUAL(feature_maps[0][3].getIntensity(), 110)
233
TEST_EQUAL(feature_maps[0][3].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))VNAAAAAAR")
235
TEST_EQUAL(feature_maps[0][4].getIntensity(), 250)
236
TEST_EQUAL(feature_maps[0][4].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "AAAAA")
238
TEST_EQUAL(feature_maps[0][5].getIntensity(), 120)
239
TEST_EQUAL(feature_maps[0][5].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "CEL")
241
TEST_EQUAL(feature_maps[0][6].getIntensity(), 180)
242
TEST_EQUAL(feature_maps[0][6].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "CNCNCN")
244
TEST_EQUAL(feature_maps[0][7].getIntensity(), 225)
245
TEST_EQUAL(feature_maps[0][7].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "VNCNCNAAAA")
247
TEST_EQUAL(feature_maps[0][8].getIntensity(), 200)
248
TEST_EQUAL(feature_maps[0][8].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)AAAAAAAK")
250
TEST_EQUAL(feature_maps[0][9].getIntensity(), 80)
251
TEST_EQUAL(feature_maps[0][9].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)CNAR")
253
TEST_EQUAL(feature_maps[0][10].getIntensity(), 100)
254
TEST_EQUAL(feature_maps[0][10].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)CNHAADDAAAAA")
256
TEST_EQUAL(feature_maps[0][11].getIntensity(), 115)
257
TEST_EQUAL(feature_maps[0][11].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)VNAAAAAAR")
260
//************3 Channel Protein Labeler********************
261
createTestFeatureMapSimVector_(feature_maps, true);
263
ICPLLabeler three_channel_protein_labeler;
264
three_channel_protein_labeler.setParameters(p1);
266
three_channel_protein_labeler.setUpHook(feature_maps); //.Labeling
267
digestFeaturesMapSimVector_(feature_maps); //.Digest
268
// maps are digested by now
269
three_channel_protein_labeler.postDigestHook(feature_maps); //.Merge
271
//�berpr�ft, ob das Ergebnis des Labelings und des Verdaus das erwartete Ergebnis ist.
272
TEST_EQUAL(feature_maps.size(), 1)
273
ABORT_IF(feature_maps.size() != 1)
275
TEST_EQUAL(feature_maps[0].size(), 16)
276
ABORT_IF(feature_maps[0].size() != 16)
278
TEST_EQUAL(feature_maps[0][0].getIntensity(), 30)
279
TEST_EQUAL(feature_maps[0][0].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:13C(6))AAAAAAAK")
211
p1.setValue("label_proteins","true"); //set to true for protein_labeling
214
//************2 Channel Protein Labeler********************
215
createTestFeatureMapSimVector_(feature_maps, false);
217
ICPLLabeler protein_labeler;
218
protein_labeler.setParameters(p1);
220
protein_labeler.setUpHook(feature_maps); // Labeling
221
digestFeaturesMapSimVector_(feature_maps); // Digest
222
// maps are digested by now
223
protein_labeler.postDigestHook(feature_maps); // Merge
225
TEST_EQUAL(feature_maps.size(), 1)
226
ABORT_IF(feature_maps.size() != 1)
228
TEST_EQUAL(feature_maps[0].size(), 12)
229
ABORT_IF(feature_maps[0].size() != 12)
231
TEST_EQUAL(feature_maps[0][0].getIntensity(), 50)
232
TEST_EQUAL(feature_maps[0][0].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))AAAAAAAK")
234
TEST_EQUAL(feature_maps[0][1].getIntensity(), 100)
235
TEST_EQUAL(feature_maps[0][1].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))CNAR")
237
TEST_EQUAL(feature_maps[0][2].getIntensity(), 120)
238
TEST_EQUAL(feature_maps[0][2].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))LDR")
240
TEST_EQUAL(feature_maps[0][3].getIntensity(), 110)
241
TEST_EQUAL(feature_maps[0][3].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))VNAAAAAAR")
243
TEST_EQUAL(feature_maps[0][4].getIntensity(), 250)
244
TEST_EQUAL(feature_maps[0][4].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "AAAAA")
246
TEST_EQUAL(feature_maps[0][5].getIntensity(), 120)
247
TEST_EQUAL(feature_maps[0][5].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "CEL")
249
TEST_EQUAL(feature_maps[0][6].getIntensity(), 180)
250
TEST_EQUAL(feature_maps[0][6].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "CNCNCN")
252
TEST_EQUAL(feature_maps[0][7].getIntensity(), 225)
253
TEST_EQUAL(feature_maps[0][7].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "VNCNCNAAAA")
255
TEST_EQUAL(feature_maps[0][8].getIntensity(), 200)
256
TEST_EQUAL(feature_maps[0][8].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)AAAAAAAK")
258
TEST_EQUAL(feature_maps[0][9].getIntensity(), 80)
259
TEST_EQUAL(feature_maps[0][9].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)CNAR")
261
TEST_EQUAL(feature_maps[0][10].getIntensity(), 100)
262
TEST_EQUAL(feature_maps[0][10].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)CNHAADDAAAAA")
264
TEST_EQUAL(feature_maps[0][11].getIntensity(), 115)
265
TEST_EQUAL(feature_maps[0][11].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)VNAAAAAAR")
268
//************3 Channel Protein Labeler********************
269
createTestFeatureMapSimVector_(feature_maps, true);
271
ICPLLabeler three_channel_protein_labeler;
272
three_channel_protein_labeler.setParameters(p1);
274
three_channel_protein_labeler.setUpHook(feature_maps); //.Labeling
275
digestFeaturesMapSimVector_(feature_maps); //.Digest
276
// maps are digested by now
277
three_channel_protein_labeler.postDigestHook(feature_maps); //.Merge
279
TEST_EQUAL(feature_maps.size(), 1)
280
ABORT_IF(feature_maps.size() != 1)
282
TEST_EQUAL(feature_maps[0].size(), 16)
283
ABORT_IF(feature_maps[0].size() != 16)
285
TEST_EQUAL(feature_maps[0][0].getIntensity(), 30)
286
TEST_EQUAL(feature_maps[0][0].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:13C(6))AAAAAAAK")
281
288
TEST_EQUAL(feature_maps[0][7].getIntensity(), 50)
282
289
TEST_EQUAL(feature_maps[0][7].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))AAAAAAAK")
305
312
TEST_EQUAL(feature_maps[0][3].getIntensity(), 80)
306
313
TEST_EQUAL(feature_maps[0][3].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:13C(6))YCYCY")
308
TEST_EQUAL(feature_maps[0][10].getIntensity(), 110)
309
TEST_EQUAL(feature_maps[0][10].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))VNAAAAAAR")
311
TEST_EQUAL(feature_maps[0][11].getIntensity(), 225)
312
TEST_EQUAL(feature_maps[0][11].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "VNCNCNAAAA")
314
TEST_EQUAL(feature_maps[0][12].getIntensity(), 200)
315
TEST_EQUAL(feature_maps[0][12].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)AAAAAAAK")
317
TEST_EQUAL(feature_maps[0][13].getIntensity(), 80)
318
TEST_EQUAL(feature_maps[0][13].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)CNAR")
320
TEST_EQUAL(feature_maps[0][14].getIntensity(), 100)
321
TEST_EQUAL(feature_maps[0][14].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)CNHAADDAAAAA")
323
TEST_EQUAL(feature_maps[0][15].getIntensity(), 115)
324
TEST_EQUAL(feature_maps[0][15].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)VNAAAAAAR")
315
TEST_EQUAL(feature_maps[0][10].getIntensity(), 110)
316
TEST_EQUAL(feature_maps[0][10].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))VNAAAAAAR")
318
TEST_EQUAL(feature_maps[0][11].getIntensity(), 225)
319
TEST_EQUAL(feature_maps[0][11].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "VNCNCNAAAA")
321
TEST_EQUAL(feature_maps[0][12].getIntensity(), 200)
322
TEST_EQUAL(feature_maps[0][12].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)AAAAAAAK")
324
TEST_EQUAL(feature_maps[0][13].getIntensity(), 80)
325
TEST_EQUAL(feature_maps[0][13].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)CNAR")
327
TEST_EQUAL(feature_maps[0][14].getIntensity(), 100)
328
TEST_EQUAL(feature_maps[0][14].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)CNHAADDAAAAA")
330
TEST_EQUAL(feature_maps[0][15].getIntensity(), 115)
331
TEST_EQUAL(feature_maps[0][15].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)VNAAAAAAR")
327
334
//*******************************Peptide-Labeling*******************************************
330
p2.setValue("label_proteins","false"); //set to false for peptide_labeling
333
//************2 Channel Peptide Labeler
334
createTestFeatureMapSimVector_(feature_maps, false);
336
ICPLLabeler peptide_labeler;
337
peptide_labeler.setParameters(p2);
337
p2.setValue("label_proteins","false"); //set to false for peptide_labeling
340
//************2 Channel Peptide Labeler
341
createTestFeatureMapSimVector_(feature_maps, false);
343
ICPLLabeler peptide_labeler;
344
peptide_labeler.setParameters(p2);
338
345
peptide_labeler.setUpHook(feature_maps);
339
digestFeaturesMapSimVector_(feature_maps); // Digest
340
peptide_labeler.postDigestHook(feature_maps); // Labeling & Merge
342
//�berpr�ft, ob das Ergebnis des Labelings und des Verdaus das erwartete Ergebnis ist.
343
TEST_EQUAL(feature_maps.size(), 1)
344
ABORT_IF(feature_maps.size() != 1)
346
TEST_EQUAL(feature_maps[0].size(), 15)
347
ABORT_IF(feature_maps[0].size() != 15)
349
TEST_EQUAL(feature_maps[0][0].getIntensity(), 50)
350
TEST_EQUAL(feature_maps[0][0].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))AAAAA")
346
digestFeaturesMapSimVector_(feature_maps); // Digest
347
peptide_labeler.postDigestHook(feature_maps); // Labeling & Merge
349
TEST_EQUAL(feature_maps.size(), 1)
350
ABORT_IF(feature_maps.size() != 1)
352
TEST_EQUAL(feature_maps[0].size(), 15)
353
ABORT_IF(feature_maps[0].size() != 15)
355
TEST_EQUAL(feature_maps[0][0].getIntensity(), 50)
356
TEST_EQUAL(feature_maps[0][0].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))AAAAA")
352
358
TEST_EQUAL(feature_maps[0][1].getIntensity(), 50)
353
359
TEST_EQUAL(feature_maps[0][1].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))AAAAAAAK")
355
361
TEST_EQUAL(feature_maps[0][2].getIntensity(), 120)
356
362
TEST_EQUAL(feature_maps[0][2].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))CEL")
358
TEST_EQUAL(feature_maps[0][3].getIntensity(), 100)
359
TEST_EQUAL(feature_maps[0][3].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))CNAR")
361
TEST_EQUAL(feature_maps[0][4].getIntensity(), 100)
362
TEST_EQUAL(feature_maps[0][4].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))CNCNCN")
364
TEST_EQUAL(feature_maps[0][5].getIntensity(), 120)
365
TEST_EQUAL(feature_maps[0][5].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))LDR")
367
TEST_EQUAL(feature_maps[0][6].getIntensity(), 110)
368
TEST_EQUAL(feature_maps[0][6].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))VNAAAAAAR")
370
TEST_EQUAL(feature_maps[0][7].getIntensity(), 110)
371
TEST_EQUAL(feature_maps[0][7].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))VNCNCNAAAA")
373
TEST_EQUAL(feature_maps[0][8].getIntensity(), 200)
374
TEST_EQUAL(feature_maps[0][8].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)AAAAA")
376
TEST_EQUAL(feature_maps[0][9].getIntensity(), 200)
377
TEST_EQUAL(feature_maps[0][9].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)AAAAAAAK")
379
TEST_EQUAL(feature_maps[0][10].getIntensity(), 80)
380
TEST_EQUAL(feature_maps[0][10].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)CNAR")
382
TEST_EQUAL(feature_maps[0][11].getIntensity(), 80)
383
TEST_EQUAL(feature_maps[0][11].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)CNCNCN")
385
TEST_EQUAL(feature_maps[0][12].getIntensity(), 100)
386
TEST_EQUAL(feature_maps[0][12].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)CNHAADDAAAAA")
388
TEST_EQUAL(feature_maps[0][13].getIntensity(), 115)
389
TEST_EQUAL(feature_maps[0][13].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)VNAAAAAAR")
391
TEST_EQUAL(feature_maps[0][14].getIntensity(), 115)
392
TEST_EQUAL(feature_maps[0][14].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)VNCNCNAAAA")
395
//************3 Channel Peptide Labeler
396
createTestFeatureMapSimVector_(feature_maps, true);
398
ICPLLabeler three_channel_peptide_labeler;
399
three_channel_peptide_labeler.setParameters(p2);
401
digestFeaturesMapSimVector_(feature_maps); // Digest
402
three_channel_peptide_labeler.postDigestHook(feature_maps); // Labeling & Merge
404
//�berpr�ft, ob das Ergebnis des Labelings und des Verdaus das erwartete Ergebnis ist.
405
TEST_EQUAL(feature_maps.size(), 1)
406
ABORT_IF(feature_maps.size() != 1)
408
TEST_EQUAL(feature_maps[0].size(), 22)
409
ABORT_IF(feature_maps[0].size() != 22)
411
TEST_EQUAL(feature_maps[0][0].getIntensity(), 30)
412
TEST_EQUAL(feature_maps[0][0].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:13C(6))AAAAA")
364
TEST_EQUAL(feature_maps[0][3].getIntensity(), 100)
365
TEST_EQUAL(feature_maps[0][3].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))CNAR")
367
TEST_EQUAL(feature_maps[0][4].getIntensity(), 100)
368
TEST_EQUAL(feature_maps[0][4].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))CNCNCN")
370
TEST_EQUAL(feature_maps[0][5].getIntensity(), 120)
371
TEST_EQUAL(feature_maps[0][5].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))LDR")
373
TEST_EQUAL(feature_maps[0][6].getIntensity(), 110)
374
TEST_EQUAL(feature_maps[0][6].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))VNAAAAAAR")
376
TEST_EQUAL(feature_maps[0][7].getIntensity(), 110)
377
TEST_EQUAL(feature_maps[0][7].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))VNCNCNAAAA")
379
TEST_EQUAL(feature_maps[0][8].getIntensity(), 200)
380
TEST_EQUAL(feature_maps[0][8].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)AAAAA")
382
TEST_EQUAL(feature_maps[0][9].getIntensity(), 200)
383
TEST_EQUAL(feature_maps[0][9].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)AAAAAAAK")
385
TEST_EQUAL(feature_maps[0][10].getIntensity(), 80)
386
TEST_EQUAL(feature_maps[0][10].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)CNAR")
388
TEST_EQUAL(feature_maps[0][11].getIntensity(), 80)
389
TEST_EQUAL(feature_maps[0][11].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)CNCNCN")
391
TEST_EQUAL(feature_maps[0][12].getIntensity(), 100)
392
TEST_EQUAL(feature_maps[0][12].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)CNHAADDAAAAA")
394
TEST_EQUAL(feature_maps[0][13].getIntensity(), 115)
395
TEST_EQUAL(feature_maps[0][13].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)VNAAAAAAR")
397
TEST_EQUAL(feature_maps[0][14].getIntensity(), 115)
398
TEST_EQUAL(feature_maps[0][14].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL)VNCNCNAAAA")
401
//************3 Channel Peptide Labeler
402
createTestFeatureMapSimVector_(feature_maps, true);
404
ICPLLabeler three_channel_peptide_labeler;
405
three_channel_peptide_labeler.setParameters(p2);
407
digestFeaturesMapSimVector_(feature_maps); // Digest
408
three_channel_peptide_labeler.postDigestHook(feature_maps); // Labeling & Merge
410
TEST_EQUAL(feature_maps.size(), 1)
411
ABORT_IF(feature_maps.size() != 1)
413
TEST_EQUAL(feature_maps[0].size(), 22)
414
ABORT_IF(feature_maps[0].size() != 22)
416
TEST_EQUAL(feature_maps[0][0].getIntensity(), 30)
417
TEST_EQUAL(feature_maps[0][0].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:13C(6))AAAAA")
414
419
TEST_EQUAL(feature_maps[0][7].getIntensity(), 50)
415
420
TEST_EQUAL(feature_maps[0][7].getPeptideIdentifications()[0].getHits()[0].getSequence().toString(), "(ICPL:2H(4))AAAAA")