From 8271f8f9d858591c75d2e6f9f3df84f1894e03f8 Mon Sep 17 00:00:00 2001
From: Olivier Langella <olivier.langella@u-psud.fr>
Date: Wed, 12 Jun 2019 17:00:40 +0200
Subject: [PATCH] wip: accept weak tandem parameter files
---
src/core/tandem_run/tandemparameters.cpp | 9 ++-
.../edittandempresetdialog.cpp | 68 +++++++++++++++----
2 files changed, 60 insertions(+), 17 deletions(-)
diff --git a/src/core/tandem_run/tandemparameters.cpp b/src/core/tandem_run/tandemparameters.cpp
index e558e51b3..0a64767d3 100644
--- a/src/core/tandem_run/tandemparameters.cpp
+++ b/src/core/tandem_run/tandemparameters.cpp
@@ -120,7 +120,7 @@ TandemParameters::setParamLabelValue(const QString &label, const QString &value)
if((label == "spectrum, parent monoisotopic mass error units") ||
(label == "spectrum, fragment monoisotopic mass error units"))
{
- if((value != "Daltons") && (value != "ppm"))
+ if((value != "Da") && (value != "Daltons") && (value != "ppm"))
{
throw pappso::ExceptionNotPossible(
QObject::tr("%1 value must be Daltons or ppm (not %2)")
@@ -168,7 +168,12 @@ TandemParameters::setParamLabelValue(const QString &label, const QString &value)
(label == "refine, maximum valid expectation value"))
{
bool ok;
- value.toDouble(&ok);
+ QString value_bis = value.simplified();
+ if(value_bis.isEmpty())
+ {
+ value_bis = "0.0";
+ }
+ value_bis.toDouble(&ok);
if(!ok)
{ // not an integer
throw pappso::ExceptionNotPossible(
diff --git a/src/gui/edit/edit_tandem_preset_dialog/edittandempresetdialog.cpp b/src/gui/edit/edit_tandem_preset_dialog/edittandempresetdialog.cpp
index 598e3a75e..e9128c4b9 100644
--- a/src/gui/edit/edit_tandem_preset_dialog/edittandempresetdialog.cpp
+++ b/src/gui/edit/edit_tandem_preset_dialog/edittandempresetdialog.cpp
@@ -140,7 +140,8 @@ EditTandemPresetDialog::doSelectDir()
catch(pappso::PappsoException &error)
{
QMessageBox::warning(
- this, tr("Error :"),
+ this,
+ tr("Error :"),
tr("Error choosing preset directory : %1").arg(error.qwhat()));
}
}
@@ -187,7 +188,8 @@ EditTandemPresetDialog::doLoad()
else
{
QMessageBox::warning(
- this, tr("Error :"),
+ this,
+ tr("Error :"),
tr("%1 is not an X!Tandem parameter file")
.arg(p_tandem_preset_file->getAbsoluteFilePath()));
}
@@ -897,19 +899,44 @@ EditTandemPresetDialog::populate()
//<note type="input" label="spectrum, use neutral loss window">yes</note>
ui->sunlw_yes_radio_button->setChecked(true);
ui->sunlw_no_radio_button->setChecked(false);
- if(_tandem_params.getValue("spectrum, use neutral loss window") == "no")
- { // -1 for not found
+ try
+ {
+ if(_tandem_params.getValue("spectrum, use neutral loss window") ==
+ "no")
+ { // -1 for not found
+ ui->sunlw_yes_radio_button->setChecked(false);
+ ui->sunlw_no_radio_button->setChecked(true);
+ }
+ }
+ catch(pappso::ExceptionNotFound &error)
+ {
ui->sunlw_yes_radio_button->setChecked(false);
ui->sunlw_no_radio_button->setChecked(true);
}
- //<note type="input" label="spectrum, neutral loss mass">18.01057</note>
- ui->snlm_edit->setText(
- _tandem_params.getValue("spectrum, neutral loss mass"));
- //<note type="input" label="spectrum, neutral loss window">0.02</note>
- ui->snlw_edit->setText(
- _tandem_params.getValue("spectrum, neutral loss window"));
+ try
+ {
+ //<note type="input" label="spectrum, neutral loss
+ // mass">18.01057</note>
+ ui->snlm_edit->setText(
+ _tandem_params.getValue("spectrum, neutral loss mass"));
+ }
+ catch(pappso::ExceptionNotFound &error)
+ {
+ ui->snlm_edit->setText("18.01057");
+ }
+
+ try
+ {
+ //<note type="input" label="spectrum, neutral loss window">0.02</note>
+ ui->snlw_edit->setText(
+ _tandem_params.getValue("spectrum, neutral loss window"));
+ }
+ catch(pappso::ExceptionNotFound &error)
+ {
+ ui->snlm_edit->setText("0.02");
+ }
//<note type="input" label="spectrum, use noise suppression">yes</note>
ui->suns_yes_radio_button->setChecked(true);
ui->suns_no_radio_button->setChecked(false);
@@ -941,13 +968,22 @@ EditTandemPresetDialog::populate()
//<note type="input" label="spectrum, use contrast angle">no</note>
ui->suca_yes_radio_button->setChecked(true);
ui->suca_no_radio_button->setChecked(false);
- if(_tandem_params.getValue("spectrum, use contrast angle") == "no")
- { // -1 for not found
+
+ try
+ {
+ if(_tandem_params.getValue("spectrum, use contrast angle") == "no")
+ { // -1 for not found
+ ui->suca_yes_radio_button->setChecked(false);
+ ui->suca_no_radio_button->setChecked(true);
+ }
+ }
+ catch(pappso::ExceptionNotFound &error)
+ {
+
ui->suca_yes_radio_button->setChecked(false);
ui->suca_no_radio_button->setChecked(true);
}
-
//<note type="input" label="spectrum, threads">1</note>
ui->st_edit->setText(_tandem_params.getValue("spectrum, threads"));
@@ -1290,7 +1326,8 @@ EditTandemPresetDialog::done(int r)
if(!_p_tandem_preset_file->exists())
{
QMessageBox::warning(
- this, tr("Save parameters"),
+ this,
+ tr("Save parameters"),
tr("Parameters file does not exists.\nPlease save it before "
"pressing ok or cancel edition"));
return;
@@ -1305,7 +1342,8 @@ EditTandemPresetDialog::done(int r)
else
{
QMessageBox::warning(
- this, tr("Save parameters"),
+ this,
+ tr("Save parameters"),
tr("Parameters modified but not saved.\nPlease save it before "
"pressing ok or cancel edition"));
return;
--
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