diff --git a/src/core/tandem_run/tandemparameters.cpp b/src/core/tandem_run/tandemparameters.cpp
index cebde321a4949d2d1e32b3f1311edc840499d500..973aeabe072d6d6a39ee4aa513ff0561411f79f9 100644
--- a/src/core/tandem_run/tandemparameters.cpp
+++ b/src/core/tandem_run/tandemparameters.cpp
@@ -95,7 +95,7 @@ void TandemParameters::setParamLabelValue(const QString & label, const QString &
throw pappso::ExceptionNotPossible(QObject::tr("%1 value must be Daltons or ppm (not %2)").arg(label).arg(value));
}
}
- if ((label == "spectrum, parent monoisotopic mass isotope error") || (label == "spectrum, use neutral loss window")) {
+ if ((label == "spectrum, parent monoisotopic mass isotope error") || (label == "spectrum, use neutral loss window") || (label == "spectrum, use contrast angle")) {
if ((value != "yes") && (value != "no")) {
throw pappso::ExceptionNotPossible(QObject::tr("%1 value must be yes or no (not %2)").arg(label).arg(value));
}
@@ -109,21 +109,19 @@ void TandemParameters::setParamLabelValue(const QString & label, const QString &
}
- if ((label == "spectrum, maximum parent charge") || (label == "spectrum, total peaks") || (label == "spectrum, minimum peaks")) {
+ if ((label == "spectrum, maximum parent charge") || (label == "spectrum, total peaks") || (label == "spectrum, minimum peaks") || (label == "spectrum, sequence batch size") || (label == "spectrum, threads")) {
bool ok;
value.toInt(&ok);
if (!ok) {// not an integer
throw pappso::ExceptionNotPossible(QObject::tr("%1 value must be an integer (not %2)").arg(label).arg(value));
}
}
-
if (label == "spectrum, fragment mass type") {
if ((value != "monoisotopic") && (value != "average")) {
throw pappso::ExceptionNotPossible(QObject::tr("%1 value must be monoisotopic or average (not %2)").arg(label).arg(value));
}
}
-
_map_label_value.insert(label, value);
}
void TandemParameters::setMethodName(const QString & method) {
diff --git a/src/gui/edit_tandem_preset_dialog/edit_tandem_preset_dialog.ui b/src/gui/edit_tandem_preset_dialog/edit_tandem_preset_dialog.ui
index e44c068d5bb89f7ee3938a34492afaf3791d7f27..e17633d2fa35cf16910b45b93aa2c93490e3577b 100644
--- a/src/gui/edit_tandem_preset_dialog/edit_tandem_preset_dialog.ui
+++ b/src/gui/edit_tandem_preset_dialog/edit_tandem_preset_dialog.ui
@@ -131,14 +131,28 @@
<property name="geometry">
<rect>
<x>0</x>
- <y>-60</y>
+ <y>-162</y>
<width>976</width>
- <height>496</height>
+ <height>598</height>
</rect>
</property>
<layout class="QVBoxLayout" name="verticalLayout_3">
<item>
<layout class="QGridLayout" name="gridLayout_2">
+ <item row="15" column="2">
+ <widget class="QPushButton" name="suca_push_button">
+ <property name="text">
+ <string>?</string>
+ </property>
+ </widget>
+ </item>
+ <item row="13" column="0">
+ <widget class="QLabel" name="label_15">
+ <property name="text">
+ <string>Minimum parent MH+ to be considered</string>
+ </property>
+ </widget>
+ </item>
<item row="12" column="0">
<widget class="QLabel" name="label_14">
<property name="text">
@@ -439,29 +453,81 @@
</property>
</widget>
</item>
+ <item row="14" column="2">
+ <widget class="QPushButton" name="spsbs_push_button">
+ <property name="text">
+ <string>?</string>
+ </property>
+ </widget>
+ </item>
+ <item row="13" column="2">
+ <widget class="QPushButton" name="smpmh_push_button">
+ <property name="text">
+ <string>?</string>
+ </property>
+ </widget>
+ </item>
+ <item row="13" column="1">
+ <widget class="QLineEdit" name="smpmh_edit"/>
+ </item>
+ <item row="14" column="1">
+ <widget class="QLineEdit" name="spsbs_edit">
+ <property name="enabled">
+ <bool>false</bool>
+ </property>
+ </widget>
+ </item>
<item row="12" column="1">
<widget class="QLineEdit" name="smfmz_edit"/>
</item>
<item row="11" column="1">
<widget class="QLineEdit" name="smp_edit"/>
</item>
- <item row="13" column="0">
- <widget class="QLabel" name="label_15">
+ <item row="14" column="0">
+ <widget class="QLabel" name="label_16">
<property name="text">
- <string>Minimum parent MH+ to be considered</string>
+ <string>Alter how protein sequences are retrieved from FASTA files</string>
</property>
</widget>
</item>
- <item row="13" column="1">
- <widget class="QLineEdit" name="smpmh_edit"/>
- </item>
- <item row="13" column="2">
- <widget class="QPushButton" name="smpmh_push_button">
+ <item row="16" column="2">
+ <widget class="QPushButton" name="st_push_button">
<property name="text">
<string>?</string>
</property>
</widget>
</item>
+ <item row="15" column="1">
+ <widget class="QComboBox" name="suca_combo_box">
+ <item>
+ <property name="text">
+ <string>yes</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>no</string>
+ </property>
+ </item>
+ </widget>
+ </item>
+ <item row="16" column="1">
+ <widget class="QLineEdit" name="st_edit"/>
+ </item>
+ <item row="16" column="0">
+ <widget class="QLabel" name="label_17">
+ <property name="text">
+ <string>Set number of threads</string>
+ </property>
+ </widget>
+ </item>
+ <item row="15" column="0">
+ <widget class="QLabel" name="label_18">
+ <property name="text">
+ <string>Use contrast angle</string>
+ </property>
+ </widget>
+ </item>
</layout>
</item>
<item>
@@ -639,7 +705,7 @@
<hints>
<hint type="sourcelabel">
<x>995</x>
- <y>157</y>
+ <y>55</y>
</hint>
<hint type="destinationlabel">
<x>1728</x>
@@ -671,7 +737,7 @@
<hints>
<hint type="sourcelabel">
<x>995</x>
- <y>191</y>
+ <y>89</y>
</hint>
<hint type="destinationlabel">
<x>720</x>
@@ -687,7 +753,7 @@
<hints>
<hint type="sourcelabel">
<x>995</x>
- <y>225</y>
+ <y>123</y>
</hint>
<hint type="destinationlabel">
<x>1181</x>
@@ -703,7 +769,7 @@
<hints>
<hint type="sourcelabel">
<x>995</x>
- <y>259</y>
+ <y>157</y>
</hint>
<hint type="destinationlabel">
<x>1037</x>
@@ -735,7 +801,7 @@
<hints>
<hint type="sourcelabel">
<x>909</x>
- <y>157</y>
+ <y>55</y>
</hint>
<hint type="destinationlabel">
<x>400</x>
@@ -751,7 +817,7 @@
<hints>
<hint type="sourcelabel">
<x>909</x>
- <y>191</y>
+ <y>89</y>
</hint>
<hint type="destinationlabel">
<x>464</x>
@@ -767,7 +833,7 @@
<hints>
<hint type="sourcelabel">
<x>909</x>
- <y>225</y>
+ <y>123</y>
</hint>
<hint type="destinationlabel">
<x>798</x>
@@ -783,7 +849,7 @@
<hints>
<hint type="sourcelabel">
<x>909</x>
- <y>259</y>
+ <y>157</y>
</hint>
<hint type="destinationlabel">
<x>970</x>
@@ -831,7 +897,7 @@
<hints>
<hint type="sourcelabel">
<x>995</x>
- <y>293</y>
+ <y>191</y>
</hint>
<hint type="destinationlabel">
<x>1209</x>
@@ -847,7 +913,7 @@
<hints>
<hint type="sourcelabel">
<x>995</x>
- <y>327</y>
+ <y>225</y>
</hint>
<hint type="destinationlabel">
<x>1247</x>
@@ -863,7 +929,7 @@
<hints>
<hint type="sourcelabel">
<x>995</x>
- <y>361</y>
+ <y>259</y>
</hint>
<hint type="destinationlabel">
<x>1142</x>
@@ -879,7 +945,7 @@
<hints>
<hint type="sourcelabel">
<x>995</x>
- <y>395</y>
+ <y>293</y>
</hint>
<hint type="destinationlabel">
<x>1322</x>
@@ -895,7 +961,7 @@
<hints>
<hint type="sourcelabel">
<x>995</x>
- <y>429</y>
+ <y>327</y>
</hint>
<hint type="destinationlabel">
<x>1259</x>
@@ -911,7 +977,7 @@
<hints>
<hint type="sourcelabel">
<x>995</x>
- <y>463</y>
+ <y>361</y>
</hint>
<hint type="destinationlabel">
<x>1588</x>
@@ -927,7 +993,7 @@
<hints>
<hint type="sourcelabel">
<x>995</x>
- <y>497</y>
+ <y>395</y>
</hint>
<hint type="destinationlabel">
<x>1674</x>
@@ -943,7 +1009,7 @@
<hints>
<hint type="sourcelabel">
<x>977</x>
- <y>519</y>
+ <y>417</y>
</hint>
<hint type="destinationlabel">
<x>1611</x>
@@ -959,7 +1025,7 @@
<hints>
<hint type="sourcelabel">
<x>933</x>
- <y>539</y>
+ <y>437</y>
</hint>
<hint type="destinationlabel">
<x>1711</x>
@@ -975,7 +1041,7 @@
<hints>
<hint type="sourcelabel">
<x>968</x>
- <y>586</y>
+ <y>484</y>
</hint>
<hint type="destinationlabel">
<x>1642</x>
@@ -983,6 +1049,54 @@
</hint>
</hints>
</connection>
+ <connection>
+ <sender>spsbs_push_button</sender>
+ <signal>clicked()</signal>
+ <receiver>EditTandemPresetView</receiver>
+ <slot>doHelp()</slot>
+ <hints>
+ <hint type="sourcelabel">
+ <x>945</x>
+ <y>513</y>
+ </hint>
+ <hint type="destinationlabel">
+ <x>1579</x>
+ <y>627</y>
+ </hint>
+ </hints>
+ </connection>
+ <connection>
+ <sender>suca_push_button</sender>
+ <signal>clicked()</signal>
+ <receiver>EditTandemPresetView</receiver>
+ <slot>doHelp()</slot>
+ <hints>
+ <hint type="sourcelabel">
+ <x>966</x>
+ <y>559</y>
+ </hint>
+ <hint type="destinationlabel">
+ <x>1734</x>
+ <y>637</y>
+ </hint>
+ </hints>
+ </connection>
+ <connection>
+ <sender>st_push_button</sender>
+ <signal>clicked()</signal>
+ <receiver>EditTandemPresetView</receiver>
+ <slot>doHelp()</slot>
+ <hints>
+ <hint type="sourcelabel">
+ <x>922</x>
+ <y>586</y>
+ </hint>
+ <hint type="destinationlabel">
+ <x>1734</x>
+ <y>677</y>
+ </hint>
+ </hints>
+ </connection>
</connections>
<slots>
<slot>doCopy()</slot>
diff --git a/src/gui/edit_tandem_preset_dialog/edittandempresetdialog.cpp b/src/gui/edit_tandem_preset_dialog/edittandempresetdialog.cpp
index 634537e4be6ec5e13f4f2de6e569cb0f4a9d8af0..a60263cca8e29f12e51d4049f4f74c1b98fd8ce5 100644
--- a/src/gui/edit_tandem_preset_dialog/edittandempresetdialog.cpp
+++ b/src/gui/edit_tandem_preset_dialog/edittandempresetdialog.cpp
@@ -233,6 +233,18 @@ void EditTandemPresetDialog::doHelp() {
{
html_doc.setFileName(":/tandem/resources/html_doc/smpmh.html");
}
+ if(senderObjName == "spsbs_push_button")
+ {
+ html_doc.setFileName(":/tandem/resources/html_doc/spsbs.html");
+ }
+ if(senderObjName == "suca_push_button")
+ {
+ html_doc.setFileName(":/tandem/resources/html_doc/suca.html");
+ }
+ if(senderObjName == "st_push_button")
+ {
+ html_doc.setFileName(":/tandem/resources/html_doc/st.html");
+ }
if (html_doc.open(QFile::ReadOnly | QFile::Text)) {
QTextStream in(&html_doc);
@@ -269,6 +281,9 @@ void EditTandemPresetDialog::readUi() {
_tandem_params.setParamLabelValue("spectrum, minimum peaks", ui->smp_edit->text());
_tandem_params.setParamLabelValue("spectrum, minimum fragment mz", ui->smfmz_edit->text());
_tandem_params.setParamLabelValue("spectrum, minimum parent m+h", ui->smpmh_edit->text());
+ _tandem_params.setParamLabelValue("spectrum, sequence batch size", ui->spsbs_edit->text());
+ _tandem_params.setParamLabelValue("spectrum, use contrast angle", ui->suca_combo_box->currentText());
+ _tandem_params.setParamLabelValue("spectrum, threads", ui->st_edit->text());
}
catch (pappso::PappsoException & error) {
@@ -335,8 +350,14 @@ void EditTandemPresetDialog::populate() {
ui->smpmh_edit->setText(_tandem_params.getValue("spectrum, minimum parent m+h"));
//<note type="input" label="spectrum, sequence batch size">1000</note>
+ ui->spsbs_edit->setText(_tandem_params.getValue("spectrum, sequence batch size"));
//<note type="input" label="spectrum, use contrast angle">no</note>
+ index = ui->suca_combo_box->findText(_tandem_params.getValue("spectrum, use contrast angle"));
+ if ( index != -1 ) { // -1 for not found
+ ui->suca_combo_box->setCurrentIndex(index);
+ }
//<note type="input" label="spectrum, threads">1</note>
+ ui->st_edit->setText(_tandem_params.getValue("spectrum, threads"));
qDebug() << "EditTandemPresetDialog::populate end";
}