0 qml mock

.copier-answers.yml

@@ -1,6 +1,6 @@
 # WARNING: Do not edit this file manually.
 # Any changes will be overwritten by Copier.
-_commit: v0.3.2
+_commit: v0.4.2
 _src_path: gh:easyscience/templates
 app_docs_url: https://easyscience.github.io/shapes-app
 app_doi: 10.5281/zenodo.18163581

.github/actions/publish-to-pypi/action.yml

@@ -1,13 +1,14 @@
 name: 'Publish to PyPI'
-description: 'Publish a built distribution to PyPI using pypa/gh-action-pypi-publish'
+description: 'Publish dist/ to PyPI via Trusted Publishing (OIDC)'
 inputs:
-  password:
-    description: 'PyPI API token (or password) for authentication'
-    required: true
+  packages_dir:
+    description: 'Directory containing the built packages to upload'
+    required: false
+    default: 'dist'
 
 runs:
   using: 'composite'
   steps:
     - uses: pypa/gh-action-pypi-publish@release/v1
       with:
-        password: ${{ inputs.password }}
+        packages-dir: ${{ inputs.packages_dir }}

.pre-commit-config.yaml

@@ -1,60 +1,54 @@
 repos:
   - repo: local
     hooks:
-      # -----------------
-      # Pre-commit checks
-      # -----------------
+      # -------------
+      # Manual checks
+      # -------------
       - id: pixi-pyproject-check
         name: pixi run pyproject-check
         entry: pixi run pyproject-check
         language: system
         pass_filenames: false
-        stages: [pre-commit]
+        stages: [manual]
 
       - id: pixi-py-lint-check
-        name: pixi run py-lint-check-pre STAGED_FILES
-        entry: pixi run py-lint-check-pre
+        name: pixi run py-lint-check
+        entry: pixi run py-lint-check
         language: system
-        pass_filenames: true
-        files: ^(src/|tests/|docs/docs/tutorials/).*\.py$
-        stages: [pre-commit]
+        pass_filenames: false
+        stages: [manual]
 
       - id: pixi-py-format-check
-        name: pixi run py-format-check-pre STAGED_FILES
-        entry: pixi run py-format-check-pre
+        name: pixi run py-format-check
+        entry: pixi run py-format-check
         language: system
-        pass_filenames: true
-        files: ^(src/|tests/|docs/docs/tutorials/).*\.py$
-        stages: [pre-commit]
+        pass_filenames: false
+        stages: [manual]
 
       - id: pixi-nonpy-format-check
-        name: pixi run nonpy-format-check-pre STAGED_FILES
-        entry: pixi run nonpy-format-check-pre
+        name: pixi run nonpy-format-check
+        entry: pixi run nonpy-format-check
         language: system
-        pass_filenames: true
-        stages: [pre-commit]
+        pass_filenames: false
+        stages: [manual]
 
       - id: pixi-docs-format-check
-        name: pixi run docs-format-check-pre STAGED_FILES
-        entry: pixi run docs-format-check-pre
+        name: pixi run docs-format-check
+        entry: pixi run docs-format-check
         language: system
-        pass_filenames: true
-        files: ^(src/|docs/docs/tutorials/).*\.py$
-        stages: [pre-commit]
+        pass_filenames: false
+        stages: [manual]
 
-      # ----------------
-      # Pre-push checks
-      # ----------------
-      - id: pixi-nonpy-format-check
-        name: pixi run nonpy-format-check
-        entry: pixi run nonpy-format-check
+      - id: pixi-notebook-format-check
+        name: pixi run notebook-format-check
+        entry: pixi run notebook-format-check
         language: system
         pass_filenames: false
-        stages: [pre-push]
+        stages: [manual]
 
       - id: pixi-unit-tests
         name: pixi run unit-tests
         entry: pixi run unit-tests
         language: system
         pass_filenames: false
-        stages: [pre-push]
+        stages: [manual]

README.md

@@ -11,7 +11,7 @@
 
 **EasyShapes** is a scientific software for generation of ordered
 molecular aggregates and pre-assembled composite structures to seed
-molecular dynamics (md) simulations aimed at studying equilibration
+molecular dynamics (MD) simulations aimed at studying equilibration
 (relaxation) processes in soft matter and biomolecular systems..
 
 <!-- HOME REPOSITORY SECTION -->

pixi.toml

@@ -96,12 +96,7 @@ py-format-check = "ruff format --check src/ tests/ docs/docs/tutorials/"
 nonpy-format-check = "npx prettier --list-different --config=prettierrc.toml --ignore-unknown ."
 nonpy-format-check-modified = "python tools/nonpy_prettier_modified.py"
 
-check = { depends-on = [
-  'py-format-check',
-  'docs-format-check',
-  'py-lint-check',
-  'nonpy-format-check-modified',
-] }
+check = 'pre-commit run --hook-stage manual --all-files'
 
 ##########
 # 🛠️ Fixes
@@ -119,7 +114,7 @@ fix = { depends-on = [
   'py-format-fix',
   'docs-format-fix',
   'py-lint-fix',
-  'nonpy-format-fix-modified',
+  'nonpy-format-fix',
   'success-message-fix',
 ] }
 
@@ -191,19 +186,6 @@ copier-update = "copier update --data-file ../shapes/.copier-answers.yml --data
 # 🪝 Pre-commit Hooks
 #####################
 
-# Pre-commit hook commands (to be used in .pre-commit-config.yaml)
-py-lint-check-pre = 'ruff check'
-py-format-check-pre = "ruff format --check"
-nonpy-format-check-pre = "npx prettier --list-different --config=prettierrc.toml --ignore-unknown"
-docs-format-check-pre = 'docformatter --check'
-
-# Run like a real commit: staged files only (almost)
-pre-commit-check = 'pre-commit run --hook-stage pre-commit'
-# CI check: lint/format everything
-pre-commit-check-all = 'pre-commit run --all-files --hook-stage pre-commit'
-# Pre-push check: lint/format everything
-pre-push-check = 'pre-commit run --all-files --hook-stage pre-push'
-
 pre-commit-clean = 'pre-commit clean'
 pre-commit-install = 'pre-commit install --hook-type pre-commit --hook-type pre-push --overwrite'
 pre-commit-uninstall = 'pre-commit uninstall --hook-type pre-commit --hook-type pre-push'
@@ -232,7 +214,7 @@ spdx-update = 'python tools/update_spdx.py'
 post-install = { depends-on = [
   'npm-config',
   'prettier-install',
-  'pre-commit-setup',
+  #'pre-commit-setup',
 ] }
 
 ##########################

src/easyshapes_app/Backends/MockBackend.qml

@@ -0,0 +1,19 @@
+// SPDX-FileCopyrightText: 2024 EasyApp contributors
+// SPDX-License-Identifier: BSD-3-Clause
+// © 2024 Contributors to the EasyApp project <https://github.com/easyscience/EasyApp>
+
+pragma Singleton
+
+import QtQuick
+
+import Backends.MockQml as MockLogic
+
+
+QtObject {
+
+    property var project: MockLogic.Project
+    property var analysis: MockLogic.Analysis
+    property var status: MockLogic.Status
+    property var report: MockLogic.Report
+
+}

src/easyshapes_app/Backends/MockQml/Analysis

@@ -0,0 +1,74 @@
+// SPDX-FileCopyrightText: 2024 EasyApp contributors
+// SPDX-License-Identifier: BSD-3-Clause
+// © 2024 Contributors to the EasyApp project <https://github.com/easyscience/EasyApp>
+
+pragma Singleton
+
+import QtQuick
+
+QtObject {
+
+    property bool created: false
+
+    property string name: ''
+
+    readonly property var info: {
+        'description': '',
+        'location': '',
+        'creationDate': ''
+    }
+
+    readonly property var examples: [
+        {
+            'description': 'neutrons, powder, constant wavelength, HRPT@PSI',
+            'name': 'La0.5Ba0.5CoO3 (HRPT)',
+            'path': ':/Examples/La0.5Ba0.5CoO3_HRPT@PSI/project.cif'
+        },
+        {
+            'description': 'neutrons, powder, constant wavelength, HRPT@PSI',
+            'name': 'La0.5Ba0.5CoO3-Raw (HRPT)',
+            'path': ':/Examples/La0.5Ba0.5CoO3-Raw_HRPT@PSI/project.cif'
+        },
+        {
+            'description': 'neutrons, powder, constant wavelength, HRPT@PSI, 2 phases',
+            'name': 'La0.5Ba0.5CoO3-Mult-Phases (HRPT)',
+            'path': ':/Examples/La0.5Ba0.5CoO3-Mult-Phases_HRPT@PSI/project.cif'
+        },
+        {
+            'description': 'neutrons, powder, constant wavelength, D20@ILL',
+            'name': 'Co2SiO4 (D20)',
+            'path': ':/Examples/Co2SiO4_D20@ILL/project.cif'
+        },
+        {
+            'description': 'neutrons, powder, constant wavelength, G41@LLB',
+            'name': 'Dy3Al5O12 (G41)',
+            'path': ':/Examples/Dy3Al5O12_G41@LLB/project.cif'
+        },
+        {
+            'description': 'neutrons, powder, constant wavelength, D1A@ILL',
+            'name': 'PbSO4 (D1A)',
+            'path': ':/Examples/PbSO4_D1A@ILL/project.cif'
+        },
+        {
+            'description': 'neutrons, powder, constant wavelength, 3T2@LLB',
+            'name': 'LaMnO3 (3T2)',
+            'path': ':/Examples/LaMnO3_3T2@LLB/project.cif'
+        }
+    ]
+
+    function create() {
+        console.debug(`Creating project '${name}'`)
+        info.creationDate = `${new Date().toLocaleDateString()} ${new Date().toLocaleTimeString()}`
+        infoChanged()  // this signal is not emitted automatically when only part of the object is changed
+        created = true
+    }
+
+    function save() {
+        console.debug(`NOT IMPLEMENTED: Saving project '${name}'`)
+    }
+
+    function editInfo(path, new_value) {
+        console.debug(`NOT IMPLEMENTED: Changing project info.${path} from '${info.path}' to '${new_value}'`)
+    }
+
+}

src/easyshapes_app/Backends/MockQml/Analysis.qml

@@ -0,0 +1,47 @@
+// SPDX-FileCopyrightText: 2024 EasyApp contributors
+// SPDX-License-Identifier: BSD-3-Clause
+// © 2024 Contributors to the EasyApp project <https://github.com/easyscience/EasyApp>
+
+pragma Singleton
+
+import QtQuick
+import QtGraphs
+
+import Gui.Globals as Globals
+
+
+QtObject {
+
+    property int dataSize: 50
+    property var axesRanges: {
+        "xmin": 0.0,
+        "xmax": 180.0,
+        "ymin": 0.0,
+        "ymax": 100.0,
+    }
+
+    signal dataPointsChanged(var points)
+
+    function generateData() {
+        console.debug(`* Generating ${dataSize} data points...`)
+        const xmin = axesRanges.xmin
+        const xmax = axesRanges.xmax
+        const ymin = axesRanges.ymin
+        const ymax = axesRanges.ymax
+
+        const stepSize = (xmax - xmin) / (dataSize - 1)
+
+        let dataPoints = []
+        for (let i = 0; i < dataSize + 1; i++) {
+            const x = i * stepSize
+            const y = ymin + Math.random() * (ymax - ymin)
+            dataPoints.push(Qt.point(x, y))
+        }
+        console.debug("  Data generation completed.")
+
+        console.debug(`* Sending ${dataSize} data points to series...`)
+        dataPointsChanged(dataPoints)
+        console.debug("  Data update signal emitted.")
+    }
+
+}