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Merge pull request #91 from easyScience/0.0.5rc
0.0.5rc
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‎CHANGELOG.md

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# CHANGELOG
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### Changes 0.0.5
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- Addition of multiple contrast support [091abe1](https://github.com/easyScience/EasyReflectometryApp/pull/79/commits/091abe1b727c7b9e1f1b60ed1327d79ef318dd8e)
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- Saving and loading fixed [598e7f3](https://github.com/easyScience/EasyReflectometryApp/pull/79/commits/598e7f36ef5feb6263ed015e13002528c15b03b9)
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- Enabling parameter-parameter constraints to be defined [82e3821](https://github.com/easyScience/EasyReflectometryApp/pull/79/commits/82e382141e8e5b469e89fe42ca397c21bd194fcc)
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- Clean up of the sample interface [3907bde](https://github.com/easyScience/EasyReflectometryApp/pull/79/commits/3907bde69d608be6b82051c60bb7a304f04f0002)
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- Enabling the docs and bug reporting buttons [7d29276](https://github.com/easyScience/EasyReflectometryApp/pull/79/commits/7d292761e96860b5b8ce74365174e38f79bbaf80)
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- Fix the reset state button [a1db4ac](https://github.com/easyScience/EasyReflectometryApp/pull/79/commits/a1db4ac10bbd5f90c764f28336cbfecb26671a03)
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- Parameter quick filters [27a64b6](https://github.com/easyScience/EasyReflectometryApp/pull/79/commits/27a64b615d016713478817119e45133b4af50695)
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- Start using easyApp [5e38ef8](https://github.com/easyScience/EasyReflectometryApp/commit/5e38ef8bd6fa542edd89e3c687d3a84dcc803800)
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- Add plotting in R(q)q^4 [5e38ef8](https://github.com/easyScience/EasyReflectometryApp/commit/5e38ef8bd6fa542edd89e3c687d3a84dcc803800)
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- Make the plots colourful to match the model colours [225ac06](https://github.com/easyScience/EasyReflectometryApp/pull/81/commits/225ac06cd7a72ba91a71e1c339c774fa351f1802)
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- Disable the fitting button if no parameters are `fixed == False` [45be44c](https://github.com/easyScience/EasyReflectometryApp/pull/90/commits/45be44c35cdfefa6e311929cdf2ab4a0512b88f6)
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- Saving plots to a single pdf [da7eba6](https://github.com/easyScience/EasyReflectometryApp/pull/89/commits/da7eba6c2acc23dd9b04d2fc5b51e3421e913820)
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- Remove the colour from the materials as it isn't used [7a40613](https://github.com/easyScience/EasyReflectometryApp/pull/88/commits/7a40613d07a021f0440a46105843f9fabe945430)
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### Changes 0.0.4
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- Add min and max columns to the Analysis tab [da47432](https://github.com/easyScience/EasyReflectometryApp/commit/da47432db1bec0e16e587328a24c23bdd174c099)

‎CONTRIBUTING.md

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@@ -34,25 +34,25 @@ Once you have completed the feature and commited your changes, please open a pul
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## Release workflow
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Periodically, or after the additional of major new features, there will be stable releases of `EasyReflectometryApp`.
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These should be produced firstly by bumping the version number in the `develop` branch appropriately and updating the [CHANGELOG.md](./CHANGELOG.md).
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The files where the version numbers should be changed are:
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- `pyproject.toml`
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- `README.md`
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- `INSTALLATION.md`
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Once the version number is bumped and the resulting build EasyReflectometry application is tested, a branch should be taken from `develop` for the release candidate.
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This branch should be named `<version-number>rc` and a lock file for the poetry package management should be produced and commited to the repository using
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```
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poetry lock
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git add -f package.lock
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git commit -m 'Lock package versions'
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```
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Once the Githib builds have been completed, these should also be tested.
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If all is well, then a pull request can be opened to merge the `<version-number>rc` branch into the `main` branch.
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With this pull request merged the final version will be built from `main` and the `<version-number>rc` branch can be removed.
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The final `main` branch action will then run to build the release version of EasyReflectometry, this will produce a release in the [releases](https://github.com/easyScience/EasyReflectometryApp/releases) section of the Github repository.
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Once is it there, the release should be tagged and renamed, this is achieved by selecting the 'edit' button (the pencil).
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The tag should be given as `v<version-number>` and the name of the release should be "Version <version-number> (<date>)` and currently (until new tutorials are produced) the tutorial should be removed from the release.
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Finally, the release should be published.
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These should be produced firstly by:
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1. Bumping the version number in the `develop` branch appropriately and updating the [CHANGELOG.md](./CHANGELOG.md).
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The files where the version numbers should be changed are:
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- `pyproject.toml`
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- `README.md`
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- `INSTALLATION.md`
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This should be allowed to build on Github and the resulting application tested.
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2. Then a branch should be taken from `develop` for the release candidate, named `<version-number>rc`. If there has been changes to `EasyReflectometryLib:main`, the `pyproject.toml` should be changed to use the `main` branch rather than `develop` of `EasyReflectometryLib`. Then a lock file for the poetry package management should be produced and commited to the repository using
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```
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poetry lock
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git add -f poetry.lock pyproject.toml
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git commit -m 'Lock package versions'
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```
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3. Once the `<version-number>rc` Github builds have been completed, these should also be tested.
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4. Then a pull request can be opened to merge the `<version-number>rc` branch into the `main` branch and tested, at this stage the CHANGELOG.md information for the given release should be copy-and-pasted into the PR.
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5. Once this pull request is merged, the final version will be built from `main` and the `<version-number>rc` branch can be removed (locally).
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6. The final `main` branch action will then run to build the release version of EasyReflectometry, this will produce a release in the [releases](https://github.com/easyScience/EasyReflectometryApp/releases) section of the Github repository.
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7. Once is it there, the release should be tagged and renamed, this is achieved by selecting the 'edit' button (the pencil). The tag should be given as `v<version-number>` and the name of the release should be `Version <version-number> (<date>)` and currently (until new tutorials are produced) the tutorial should be removed from the release.
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8. Finally, the release should be published.

‎EasyReflectometryApp/Gui/Components/AnalysisConstraints.qml

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@@ -2,10 +2,10 @@ import QtQuick 2.13
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import QtQuick.Controls 2.13
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import QtQuick.XmlListModel 2.13
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import easyAppGui.Globals 1.0 as EaGlobals
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import easyAppGui.Style 1.0 as EaStyle
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import easyAppGui.Elements 1.0 as EaElements
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import easyAppGui.Components 1.0 as EaComponents
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import easyApp.Gui.Globals 1.0 as EaGlobals
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import easyApp.Gui.Style 1.0 as EaStyle
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import easyApp.Gui.Elements 1.0 as EaElements
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import easyApp.Gui.Components 1.0 as EaComponents
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import Gui.Globals 1.0 as ExGlobals
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// Table model
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model: XmlListModel {
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///xml: ExGlobals.Constants.proxy.constraintsListAsXml
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xml: ExGlobals.Constants.proxy.parameter.constraintsAsXml
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query: "/root/item"
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XmlRole { name: "number"; query: "number/number()" }
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XmlRole { name: "index"; query: "index/number()" }
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XmlRole { name: "dependentName"; query: "dependentName/string()" }
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XmlRole { name: "relationalOperator"; query: "relationalOperator/string()" }
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XmlRole { name: "value"; query: "value/number()" }
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deleteRowColumn.width) / 2
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headerText: "Constraint"
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text: model.dependentName
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elide: Text.ElideRight
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ToolTip.text: model.dependentName
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ToolTip.visible: model.dependentName ? ma.containsMouse : false
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MouseArea {
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id: ma
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anchors.fill: parent
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hoverEnabled: true
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}
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ToolTip.delay: 500
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}
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EaComponents.TableViewLabel {
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EaComponents.TableViewLabel {
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id: valueColumn
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horizontalAlignment: Text.AlignRight
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width: EaStyle.Sizes.fontPixelSize * 4
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text: model.value.toFixed(4)
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width: EaStyle.Sizes.fontPixelSize * 2
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text: model.value.toFixed(2)
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}
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EaComponents.TableViewLabel {
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horizontalAlignment: Text.AlignLeft
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width: dependentNameColumn.width
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text: model.independentName
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elide: Text.ElideRight
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ToolTip.text: model.independentName
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ToolTip.visible: model.independentName ? mai.containsMouse : false
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MouseArea {
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id: mai
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anchors.fill: parent
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hoverEnabled: true
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}
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ToolTip.delay: 500
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}
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EaComponents.TableViewCheckBox {
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id: useColumn
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width: EaStyle.Sizes.fontPixelSize * 3
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headerText: "Use"
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checked: model.enabled
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onToggled: ExGlobals.Constants.proxy.toggleConstraintByIndex(model.index, checked)
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onToggled: ExGlobals.Constants.proxy.parameter.toggleConstraintByIndex(model.index, checked)
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}
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EaComponents.TableViewButton {
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id: deleteRowColumn
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headerText: "Del." //"\uf2ed"
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fontIcon: "minus-circle"
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ToolTip.text: qsTr("Remove this constraint")
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onClicked: ExGlobals.Constants.proxy.removeConstraintByIndex(model.index)
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onClicked: ExGlobals.Constants.proxy.parameter.removeConstraintByIndex(model.index-1)
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}
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}
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‎EasyReflectometryApp/Gui/Components/AnalysisDataChartBokeh.qml

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import QtQuick 2.13
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import easyAppGui.Style 1.0 as EaStyle
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import easyAppGui.Charts 1.0 as EaCharts
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import easyApp.Gui.Style 1.0 as EaStyle
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import easyApp.Gui.Charts 1.0 as EaCharts
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import Gui.Components 1.0 as ExComponents
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import Gui.Globals 1.0 as ExGlobals
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EaCharts.BaseBokeh {
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ExComponents.BaseBokeh {
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measuredData: ExGlobals.Constants.proxy.plotting1d.bokehMeasuredDataObj
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calculatedData: ExGlobals.Constants.proxy.plotting1d.bokehCalculatedDataObj
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sldData: ExGlobals.Constants.proxy.plotting1d.bokehSldDataObj
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sldData: ExGlobals.Constants.proxy.plotting1d.bokehAnalysisSldDataObj
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plotRanges: ExGlobals.Constants.proxy.plotting1d.analysisPlotRangesObj
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sldPlotRanges: ExGlobals.Constants.proxy.plotting1d.sldPlotRangesObj
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sldPlotRanges: ExGlobals.Constants.proxy.plotting1d.analysisSldPlotRangesObj
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xMainAxisTitle: "q (Å⁻¹)"
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yMainAxisTitle: {
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let title = 'R(q)calc'
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if (hasMeasuredData) title = 'R(q)meas, R(q)calc'
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return title
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}
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yMainAxisTitle: ExGlobals.Constants.proxy.simulation.yMainAxisTitle
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xSldAxisTitle: "z (Å)"
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ySldAxisTitle: "SLD (10⁻⁶Å⁻²)"
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calculatedLineColor: ExGlobals.Constants.proxy.data.experimentColor
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sldLineColor: ExGlobals.Constants.proxy.data.experimentColor
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measuredLineColor: ExGlobals.Constants.proxy.data.experimentColor
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measuredAreaColor: ExGlobals.Constants.proxy.data.experimentColor
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Component.onCompleted: ExGlobals.Variables.analysisChart = this
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}
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‎EasyReflectometryApp/Gui/Components/AnalysisDataChartQtCharts.qml

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import QtQuick 2.13
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import easyAppGui.Charts 1.0 as EaCharts
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import easyApp.Gui.Charts 1.0 as EaCharts
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import Gui.Globals 1.0 as ExGlobals
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‎EasyReflectometryApp/Gui/Components/AnalysisFitables.qml

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import QtQuick.Controls 2.13
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import QtQuick.XmlListModel 2.13
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import easyAppGui.Globals 1.0 as EaGlobals
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import easyAppGui.Style 1.0 as EaStyle
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import easyAppGui.Elements 1.0 as EaElements
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import easyAppGui.Components 1.0 as EaComponents
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import easyApp.Gui.Globals 1.0 as EaGlobals
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import easyApp.Gui.Style 1.0 as EaStyle
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import easyApp.Gui.Elements 1.0 as EaElements
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import easyApp.Gui.Components 1.0 as EaComponents
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import Gui.Globals 1.0 as ExGlobals
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fitColumn.width
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headerText: "Label"
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text: formatLabel(model.index, model.label)
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textFormat: Text.RichText
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elide: Text.ElideRight
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ToolTip.text: formatLabel(model.index, model.label)
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ToolTip.visible: formatLabel(model.index, model.label) ? mac.containsMouse : false
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MouseArea {
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id: mac
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anchors.fill: parent
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hoverEnabled: true
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}
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ToolTip.delay: 500
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}
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EaComponents.TableViewTextInput {
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headerText: "Value"
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text: {
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if (model.label.endsWith('Background')) {
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model.value.toExponential(3)
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model.value.toExponential(2)
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} else {
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model.value.toFixed(4)
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if (model.label.endsWith('background')) {
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model.value.toExponential(2)
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} else {
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model.value.toFixed(3)
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}
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}
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}
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onEditingFinished: editParameterValue(model.id, text)
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EaComponents.TableViewLabel {
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id: unitColumn
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horizontalAlignment: Text.AlignLeft
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width: EaStyle.Sizes.fontPixelSize * 2
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text: model.unit
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width: EaStyle.Sizes.fontPixelSize * 3.5
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text: {
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if (model.unit == '1/Ų') {
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'10⁻⁶Å⁻²'
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} else {
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model.unit
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}
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}
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color: EaStyle.Colors.themeForegroundMinor
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}
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EaComponents.TableViewLabel {
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id: errorColumn
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horizontalAlignment: Text.AlignRight
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width: EaStyle.Sizes.fontPixelSize * 3
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headerText: "Error "
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text: model.error === 0.0 || model.error > 999999 ? "" : model.error.toFixed(4) + " "
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width: EaStyle.Sizes.fontPixelSize * 4
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headerText: "Error"
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text: {
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if (model.label.endsWith('Background')) {
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model.error === 0.0 || model.error > 999999 ? "" : model.error.toExponential(2)
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} else {
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if (model.label.endsWith('background')) {
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model.error === 0.0 || model.error > 999999 ? "" : model.error.toExponential(2)
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} else {
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model.error === 0.0 || model.error > 999999 ? "" : model.error.toFixed(3)
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}
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}
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}
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EaComponents.TableViewTextInput {
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if (index < 0 || typeof label === "undefined")
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return ""
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const datasetName = ExGlobals.Constants.proxy.data.experimentDataAsObj[0].name
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// Modify current label
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label = label.replace("Instrument.", `Instrument.${datasetName}.`)
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label = label.replace(".background.", ".")
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label = label.replace("Uiso.Uiso", "Uiso")
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label = label.replace("fract_", "fract.")
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// Modify previous label to list
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let previousLabel = index > 0 ? fitablesModel.get(index - 1).label : ""
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previousLabel = previousLabel.replace("Instrument.", `Instrument.${datasetName}.`)
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previousLabel = previousLabel.replace(".background.", ".")
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previousLabel = previousLabel.replace("Uiso.Uiso", "Uiso")
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previousLabel = previousLabel.replace("fract_", "fract.")

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