diff --git a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/EnggDiffraction/EnggDiffractionPresenter.h b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/EnggDiffraction/EnggDiffractionPresenter.h
index 5ab432c55e1b622cce46de93ecaf4685c9f3fa2a..8d140deb7a449893162646b49ffb7f857836c8f6 100644
--- a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/EnggDiffraction/EnggDiffractionPresenter.h
+++ b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/EnggDiffraction/EnggDiffractionPresenter.h
@@ -160,7 +160,7 @@ private:
std::string outputCalibFilename(const std::string &vanNo,
const std::string &ceriaNo,
- const std::string &bankName="");
+ const std::string &bankName = "");
void parseCalibrateFilename(const std::string &path, std::string &instName,
std::string &vanNo, std::string &ceriaNo);
@@ -178,7 +178,7 @@ private:
std::string
buildCalibrateSuggestedFilename(const std::string &vanNo,
const std::string &ceriaNo,
- const std::string &bankName="") const;
+ const std::string &bankName = "") const;
//@}
@@ -309,6 +309,12 @@ private:
std::string
plotDifcZeroWorkspace(const std::string &customisedBankName) const;
+ void writeOutCalibFile(const std::string &outFilename,
+ const std::vector<double> &difc,
+ const std::vector<double> &tzero,
+ const std::vector<std::string> &bankNames,
+ const std::string &templateFile = "");
+
/// keep track of the paths the user "browses to", to add them in
/// the file search path
void recordPathBrowsedTo(const std::string &filename);
diff --git a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/EnggDiffraction/EnggDiffractionViewQtGUI.h b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/EnggDiffraction/EnggDiffractionViewQtGUI.h
index 361b1cec75459341277e0b54039825a5df4f95da..91fb65d216be7454155100dab45c62932ede3684 100644
--- a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/EnggDiffraction/EnggDiffractionViewQtGUI.h
+++ b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/EnggDiffraction/EnggDiffractionViewQtGUI.h
@@ -113,11 +113,7 @@ public:
void newCalibLoaded(const std::string &vanadiumNo, const std::string &ceriaNo,
const std::string &fname) override;
- void writeOutCalibFile(const std::string &outFilename,
- const std::vector<double> &difc,
- const std::vector<double> &tzero,
- const std::vector<std::string> &bankNames,
- const std::string &templateFile) override;
+ std::string enggRunPythonCode(const std::string &pyCode) override;
void enableTabs(bool enable) override;
diff --git a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/EnggDiffraction/IEnggDiffractionView.h b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/EnggDiffraction/IEnggDiffractionView.h
index e3d069c755c5c93d6f9fdffdb32beadf8c227c6d..e4050b2f0a49f17c7d65564b92ad2cd143584e95 100644
--- a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/EnggDiffraction/IEnggDiffractionView.h
+++ b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/EnggDiffraction/IEnggDiffractionView.h
@@ -213,20 +213,17 @@ public:
const std::string &fname) = 0;
/**
- * Write a GSAS file. Temporarily here until we have a more final
- * way of generating these files.
- *
- * @param outFilename output file name
- * @param difc difc values (one per bank)
- * @param tzero tzero values (one per bank)
- * @param templateFile name of the template file to use (from the
- * templates distributed with the Engg scripts and files)
- */
- virtual void writeOutCalibFile(const std::string &outFilename,
- const std::vector<double> &difc,
- const std::vector<double> &tzero,
- const std::vector<std::string> &bankNames,
- const std::string &templateFile = "") = 0;
+ * Run Python code received as a script string. This is used for
+ * example to write GSAS instrument parameters file, or other code
+ * included with the Engg scripts. Temporarily here until we have a
+ * more final way of generating these files. A SaveGSAS algorithm
+ * that can handle ENGIN-X files would be ideal.
+ *
+ * @param pyCode Python script as a string
+ *
+ * @return status string from running the code
+ */
+ virtual std::string enggRunPythonCode(const std::string &pyCode) = 0;
/**
* Enable/disable all the sections or tabs of the interface. To be
diff --git a/MantidQt/CustomInterfaces/src/EnggDiffraction/EnggDiffractionPresenter.cpp b/MantidQt/CustomInterfaces/src/EnggDiffraction/EnggDiffractionPresenter.cpp
index b74d4eebb63cbcd1cb70cf511d4566a06e114d35..30881505649fe1b2719507f149e39714133d6966 100644
--- a/MantidQt/CustomInterfaces/src/EnggDiffraction/EnggDiffractionPresenter.cpp
+++ b/MantidQt/CustomInterfaces/src/EnggDiffraction/EnggDiffractionPresenter.cpp
@@ -1472,7 +1472,7 @@ void EnggDiffractionPresenter::doCalib(const EnggDiffCalibSettings &cs,
// 2nd: because runPythonCode does this by emitting a signal that goes to
// MantidPlot, it has to be done in the view (which is a UserSubWindow).
// First write the all banks parameters file
- m_view->writeOutCalibFile(outFullPath.toString(), difc, tzero, bankNames);
+ writeOutCalibFile(outFullPath.toString(), difc, tzero, bankNames);
// Then write one individual file per bank, using different templates and the
// specific bank name as suffix
for (size_t bankIdx = 0; bankIdx < difc.size(); ++bankIdx) {
@@ -1485,9 +1485,8 @@ void EnggDiffractionPresenter::doCalib(const EnggDiffCalibSettings &cs,
templateFile = "template_ENGINX_241391_236516_South_bank.prm";
}
- m_view->writeOutCalibFile(bankOutputFullPath.toString(), {difc[bankIdx]},
- {tzero[bankIdx]}, {bankNames[bankIdx]},
- templateFile);
+ writeOutCalibFile(bankOutputFullPath.toString(), {difc[bankIdx]},
+ {tzero[bankIdx]}, {bankNames[bankIdx]}, templateFile);
}
g_log.notice() << "Calibration file written as " << outFullPath.toString()
<< std::endl;
@@ -3049,6 +3048,60 @@ Poco::Path EnggDiffractionPresenter::outFilesDir(std::string addToDir) {
return saveDir;
}
+/**
+ * To write the calibration/instrument parameter for GSAS.
+ *
+ * @param outFilename name of the output .par/.prm/.iparm file for GSAS
+ * @param difc list of GSAS DIFC values to include in the file
+ * @param tzero list of GSAS TZERO values to include in the file
+ * @param bankNames list of bank names corresponding the the difc/tzero
+ * @param templateFile a template file where to replace the difc/zero
+ * values. An empty default implies using an "all-banks" template.
+ */
+void EnggDiffractionPresenter::writeOutCalibFile(
+ const std::string &outFilename, const std::vector<double> &difc,
+ const std::vector<double> &tzero, const std::vector<std::string> &bankNames,
+ const std::string &templateFile) {
+ // TODO: this is horrible and should be changed to avoid running
+ // Python code. Update this as soon as we have a more stable way of
+ // generating IPARM/PRM files.
+
+ // Writes a file doing this:
+ // write_ENGINX_GSAS_iparam_file(output_file, difc, zero, ceria_run=241391,
+ // vanadium_run=236516, template_file=None):
+
+ // this replace is to prevent issues with network drives on windows:
+ const std::string safeOutFname =
+ boost::replace_all_copy(outFilename, "\\", "/");
+ std::string pyCode = "import EnggUtils\n";
+ pyCode += "import os\n";
+ // normalize apparently not needed after the replace, but to be double-safe:
+ pyCode += "GSAS_iparm_fname = os.path.normpath('" + safeOutFname + "')\n";
+ pyCode += "bank_names = []\n";
+ pyCode += "Difcs = []\n";
+ pyCode += "Zeros = []\n";
+ std::string templateFileVal = "None";
+ if (!templateFile.empty()) {
+ templateFileVal = "'" + templateFile + "'";
+ }
+ pyCode += "template_file = " + templateFileVal + "\n";
+ for (size_t i = 0; i < difc.size(); i++) {
+ pyCode += "bank_names.append('" + bankNames[i] + "')\n";
+ pyCode +=
+ "Difcs.append(" + boost::lexical_cast<std::string>(difc[i]) + ")\n";
+ pyCode +=
+ "Zeros.append(" + boost::lexical_cast<std::string>(tzero[i]) + ")\n";
+ }
+ pyCode +=
+ "EnggUtils.write_ENGINX_GSAS_iparam_file(output_file=GSAS_iparm_fname, "
+ "bank_names=bank_names, difc=Difcs, tzero=Zeros, "
+ "template_file=template_file) \n";
+
+ const auto status = m_view->enggRunPythonCode(pyCode);
+ g_log.information() << "Saved output calibration file via Python. Status: "
+ << status << std::endl;
+}
+
/**
* Note down a directory that needs to be added to the data search
* path when looking for run files. This simply uses a vector and adds
diff --git a/MantidQt/CustomInterfaces/src/EnggDiffraction/EnggDiffractionViewQtGUI.cpp b/MantidQt/CustomInterfaces/src/EnggDiffraction/EnggDiffractionViewQtGUI.cpp
index 75b5bfb784a7e0bf9f4b91952bafbd5e7af02809..651fd101e43bec2581263ac74f9192f3a91e73bc 100644
--- a/MantidQt/CustomInterfaces/src/EnggDiffraction/EnggDiffractionViewQtGUI.cpp
+++ b/MantidQt/CustomInterfaces/src/EnggDiffraction/EnggDiffractionViewQtGUI.cpp
@@ -960,54 +960,12 @@ void EnggDiffractionViewQtGUI::resetFocus() {
m_uiTabFocus.lineEdit_texture_grouping_file->setText("");
}
-void EnggDiffractionViewQtGUI::writeOutCalibFile(
- const std::string &outFilename, const std::vector<double> &difc,
- const std::vector<double> &tzero, const std::vector<std::string> &bankNames,
- const std::string &templateFile) {
- // TODO: move most of this to the presenter
- // TODO: this is horrible and should not last much here.
- // Avoid running Python code. Update this as soon as we have a more stable
- // way of generating IPARM/PRM files.
- // Writes a file doing this:
- // write_ENGINX_GSAS_iparam_file(output_file, difc, zero, ceria_run=241391,
- // vanadium_run=236516, template_file=None):
-
- // this replace is to prevent issues with network drives on windows:
- const std::string safeOutFname =
- boost::replace_all_copy(outFilename, "\\", "/");
- std::string pyCode = "import EnggUtils\n";
- pyCode += "import os\n";
- // normalize apparently not needed after the replace, but to be double-safe:
- pyCode += "GSAS_iparm_fname = os.path.normpath('" + safeOutFname + "')\n";
- pyCode += "bank_names = []\n";
- pyCode += "Difcs = []\n";
- pyCode += "Zeros = []\n";
- std::string templateFileVal = "None";
- if (!templateFile.empty()) {
- templateFileVal = "'" + templateFile + "'";
- }
- pyCode += "template_file = " + templateFileVal + "\n";
- for (size_t i = 0; i < difc.size(); i++) {
- pyCode += "bank_names.append('" + bankNames[i] + "')\n";
- pyCode +=
- "Difcs.append(" + boost::lexical_cast<std::string>(difc[i]) + ")\n";
- pyCode +=
- "Zeros.append(" + boost::lexical_cast<std::string>(tzero[i]) + ")\n";
- }
- pyCode +=
- "EnggUtils.write_ENGINX_GSAS_iparam_file(output_file=GSAS_iparm_fname, "
- "bank_names=bank_names, difc=Difcs, tzero=Zeros, "
- "template_file=template_file) \n";
-
+std::string
+EnggDiffractionViewQtGUI::enggRunPythonCode(const std::string &pyCode) {
std::string status =
runPythonCode(QString::fromStdString(pyCode), false).toStdString();
- // g_log.information()
- // << "Saved output calibration file through Python. Status: " << status
- // << std::endl;
- m_logMsgs.push_back(
- "Run Python code to save output file, with status string: " + status);
- m_presenter->notify(IEnggDiffractionPresenter::LogMsg);
+ return status;
}
std::string EnggDiffractionViewQtGUI::askExistingCalibFilename() {
diff --git a/MantidQt/CustomInterfaces/test/EnggDiffractionViewMock.h b/MantidQt/CustomInterfaces/test/EnggDiffractionViewMock.h
index 58f7a800dca3bd0adaf9263f9bcfc9db4ab51520..648a5e88ab509679ed4d925d9c333da80285ac00 100644
--- a/MantidQt/CustomInterfaces/test/EnggDiffractionViewMock.h
+++ b/MantidQt/CustomInterfaces/test/EnggDiffractionViewMock.h
@@ -79,12 +79,8 @@ public:
MOCK_METHOD3(newCalibLoaded, void(const std::string &, const std::string &,
const std::string &));
- // virtual void writeOutCalibFile(const std::string &outFilename,
- // const std::vector<double> &difc,
- // const std::vector<double> &tzero)
- MOCK_METHOD3(writeOutCalibFile,
- void(const std::string &, const std::vector<double> &,
- const std::vector<double> &));
+ // virtual std::string enggRunPythonCode(const std::string &pyCode)
+ MOCK_METHOD1(enggRunPythonCode, std::string(const std::string &));
// virtual void enableTabs(bool enable);
MOCK_METHOD1(enableTabs, void(bool));
@@ -165,7 +161,8 @@ public:
// virtual void setDataVector
MOCK_METHOD2(setDataVector,
- void(std::vector<boost::shared_ptr<QwtData>> &data, bool focused));
+ void(std::vector<boost::shared_ptr<QwtData>> &data,
+ bool focused));
// virtual void plotVanCurvesCalibOutput();
MOCK_METHOD0(plotVanCurvesCalibOutput, void());