easydiffraction 0.1.5__tar.gz → 0.1.7__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/PKG-INFO +1 -1
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/io/cryspy_parser.py +46 -46
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples/Change-minimizer.ipynb +103 -56
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/pyproject.toml +1 -1
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/.github/dependabot.yml +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/.github/release-drafter.yml +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/.github/workflows/delete-old-runs.yml +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/.github/workflows/ossar-analysis.yml +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/.github/workflows/pypi-publish.yml +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/.github/workflows/release-drafter.yml +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/.github/workflows/test-code.yaml +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/.github/workflows/test-ipynb.yml +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/.github/workflows/test-package.yaml +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/.github/workflows/verify-pr-labels.yml +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/.gitignore +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/CONTRIBUTING.md +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/DEVELOPMENT.md +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/LICENSE +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/README.md +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Interfaces/CFML.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Interfaces/GSASII.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Interfaces/__init__.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Interfaces/cryspy.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Interfaces/cryspyV2.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Interfaces/interfaceTemplate.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Interfaces/pdffit2.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Interfaces/types.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Job.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Jobs.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Profiles/Analysis.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Profiles/Container.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Profiles/Experiment.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Profiles/JobType.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Profiles/P1D.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Profiles/Sample.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Profiles/__init__.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Profiles/common.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/Runner.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/__init__.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/calculators/CFML.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/calculators/GSASII.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/calculators/__init__.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/calculators/cryspy.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/calculators/pdffit2.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/components/__init__.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/components/phase.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/components/polarization.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/components/site.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/elements/Backgrounds/Background.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/elements/Backgrounds/Factorial.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/elements/Backgrounds/Point.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/elements/Backgrounds/__init__.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/elements/Experiments/Experiment.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/elements/Experiments/Pattern.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/elements/Experiments/__init__.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/elements/__init__.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/interface.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/io/__init__.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/io/cif.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/io/cif_reader.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/io/download.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/io/helpers.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/main.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/easydiffraction/sample.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples/Define-experiment.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples/Define-model.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples/Fitting-emcee_pd-neut-cwl_LBCO-HRPT.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples/Fitting_pd-neut-cwl_LBCO-HRPT.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples/Fitting_pd-neut-tof_NCAF-WISH.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples/Fitting_pd-neut-tof_Si-SEPD.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples/Simulation_pd-xray_NaCl.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples/data/d1a.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples/data/hrpt.xye +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples/data/lbco.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples/data/lbco_adp.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples/data/ncaf.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples/data/sepd.xye +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples/data/si.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples/data/wish.xye +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/3T2@LLB.xye +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/D1A@ILL.xye +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/Fitting.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/Fitting_PD-CW_La0.5Ba0.5CoO3-HRPT@PSI/fitting.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/Fitting_PD-CW_La0.5Ba0.5CoO3-HRPT@PSI/fitting.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/Fitting_PD-CW_La0.5Ba0.5CoO3-HRPT@PSI/hrpt.xye +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/Fitting_PD-TOF_Si-SEPD@Argonne/fitting copy.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/Fitting_PD-TOF_Si-SEPD@Argonne/fitting.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/Fitting_PD-TOF_Si-SEPD@Argonne/fitting.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/Fitting_PD-TOF_Si-SEPD@Argonne/sepd.xye +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/Fitting_PD-TOF_Si-SEPD@Argonne/si.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/Fitting_TOF.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/Fitting_TOF_xye.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/Fitting_multiphase.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PDF/Calculate_PDF_Profile_Ni.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PDF/Fitting_PDF_Profile_Ni.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PDF/Fitting_PDF_Profile_Si.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PDF/data/4507226.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PDF/data/Ni-xray.gr +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PDF/data/Ni.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PDF/data/Si_calibration_cryostat_100A.fgr +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PDF/data/Si_calibration_cryostat_20A.fgr +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PDF/data/Si_calibration_cryostat_20A_01Rmin.fgr +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PDF/data/Si_calibration_cryostat_50A.fgr +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PDF/data/Si_calibration_cryostat_50A_01Rmin.fgr +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PDF2/Calculate_PDF_Profile.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PDF2/Fitting_PDF_Profile.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PDF2/Ni-xray.gr +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PDF2/Ni.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PDF2/Ni_fitting.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PDF2/Ni_profile.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PbSO4.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/PolNPD5T.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/Polarized.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/Simulation.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/Simulation_xray.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/TestingAPI/CrysPy/rhochi_unpolarized_tof_powder_Si/calc_chisq.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/TestingAPI/CrysPy/rhochi_unpolarized_tof_powder_Si/cryspy_PbSO4-D1A@ILL.rcif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/TestingAPI/CrysPy/rhochi_unpolarized_tof_powder_Si/cryspy_unpolarized_tof_powder_Si.rcif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/TestingAPI/CrysPy/rhochi_unpolarized_tof_powder_Si/refinement.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/TestingAPI/CrysPy/rhochi_unpolarized_tof_powder_Si/rhochi_unpolarized_tof_powder_CeCuAl.rcif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/TestingAPI/EDB/experiments/d1a.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/TestingAPI/EDB/models/pbso4.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/TestingAPI/EDB/models/pbso4_dark.png +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/TestingAPI/EDB/project.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/TestingAPI/EDB/summary/report.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/TestingAPI/EDL/D1A@ILL.xye +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/TestingAPI/EDL/PbSO4.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/TestingAPI/EDL/TestingAPI.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/advanced/refinement_bumps_dream.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/advanced/refinement_emcee.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/d1a.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/diamond_exp.xye +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/diamond_phase.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/experiment_polarized.xye +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/multiphase.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/ncaf.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/structure_polarized.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/examples_old/wish.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/__init__.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/integration_tests/CFML_Cryspy.png +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/integration_tests/FittingData.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/integration_tests/FittingData_CFML-xarrays.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/integration_tests/FittingData_CFML.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/integration_tests/PbSO4.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/integration_tests/PbSO4_neutrons_short.xye +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/integration_tests/PbSO4_xrays_short.xye +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/integration_tests/SrTiO3.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/integration_tests/WorkedExample2.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/integration_tests/fit_script.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/integration_tests/test1.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/integration_tests/test3.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/integration_tests/workedExample1.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/integration_tests/xarray_test.ipynb +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/resources/PbSO4.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/resources/PolNPD5T.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/resources/d1a.cif +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/unit_tests/Calculators/__init__.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/unit_tests/Elements/__init__.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/unit_tests/Interfaces/__init__.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/unit_tests/Profiles/__init__.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/unit_tests/Profiles/test_Experiment.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/unit_tests/Profiles/test_JobType.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/unit_tests/__init__.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/unit_tests/test_Job.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/unit_tests/test_Jobs.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/unit_tests/test_Runner.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/unit_tests/test_interface.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tests/unit_tests/test_sample.py +0 -0
- {easydiffraction-0.1.5 → easydiffraction-0.1.7}/tools/Scripts/generate_html.py +0 -0
|
@@ -85,7 +85,7 @@ class CryspyParser:
|
|
|
85
85
|
ed_phase['name'] = dict(Parameter(
|
|
86
86
|
data_block_name,
|
|
87
87
|
icon = 'layer-group',
|
|
88
|
-
url = 'https://docs.easydiffraction.org/
|
|
88
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/',
|
|
89
89
|
))
|
|
90
90
|
|
|
91
91
|
for item in cryspy_phase:
|
|
@@ -101,7 +101,7 @@ class CryspyParser:
|
|
|
101
101
|
category = '_space_group',
|
|
102
102
|
name = 'name_H-M_alt',
|
|
103
103
|
shortPrettyName = 'name',
|
|
104
|
-
url = 'https://docs.easydiffraction.org/
|
|
104
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_space_group/',
|
|
105
105
|
cifDict = 'core'
|
|
106
106
|
))
|
|
107
107
|
ed_phase['params']['_space_group']['IT_coordinate_system_code'] = dict(Parameter(
|
|
@@ -110,7 +110,7 @@ class CryspyParser:
|
|
|
110
110
|
name = 'IT_coordinate_system_code',
|
|
111
111
|
shortPrettyName = 'code',
|
|
112
112
|
permittedValues = list(get_it_coordinate_system_codes_by_it_number(item.it_number)),
|
|
113
|
-
url = 'https://docs.easydiffraction.org/
|
|
113
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_space_group/',
|
|
114
114
|
cifDict = 'core'
|
|
115
115
|
))
|
|
116
116
|
ed_phase['params']['_space_group']['crystal_system'] = dict(Parameter(
|
|
@@ -119,7 +119,7 @@ class CryspyParser:
|
|
|
119
119
|
category = '_space_group',
|
|
120
120
|
name = 'crystal_system',
|
|
121
121
|
shortPrettyName = 'crystal system',
|
|
122
|
-
url = 'https://docs.easydiffraction.org/
|
|
122
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_space_group/',
|
|
123
123
|
cifDict = 'core'
|
|
124
124
|
))
|
|
125
125
|
ed_phase['params']['_space_group']['IT_number'] = dict(Parameter(
|
|
@@ -128,7 +128,7 @@ class CryspyParser:
|
|
|
128
128
|
category = '_space_group',
|
|
129
129
|
name = 'IT_number',
|
|
130
130
|
shortPrettyName = 'number',
|
|
131
|
-
url = 'https://docs.easydiffraction.org/
|
|
131
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_space_group/',
|
|
132
132
|
cifDict = 'core'
|
|
133
133
|
))
|
|
134
134
|
|
|
@@ -146,7 +146,7 @@ class CryspyParser:
|
|
|
146
146
|
shortPrettyName = 'a', # NEED FIX: rename 'shortPrettyName' to 'shortName' ???
|
|
147
147
|
icon = 'ruler',
|
|
148
148
|
categoryIcon = 'cube',
|
|
149
|
-
url = 'https://docs.easydiffraction.org/
|
|
149
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_cell/',
|
|
150
150
|
cifDict = 'core',
|
|
151
151
|
enabled = not item.length_a_constraint,
|
|
152
152
|
absDelta = 0.1,
|
|
@@ -164,7 +164,7 @@ class CryspyParser:
|
|
|
164
164
|
shortPrettyName = 'b',
|
|
165
165
|
icon = 'ruler',
|
|
166
166
|
categoryIcon = 'cube',
|
|
167
|
-
url = 'https://docs.easydiffraction.org/
|
|
167
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_cell/',
|
|
168
168
|
cifDict = 'core',
|
|
169
169
|
enabled = not item.length_b_constraint,
|
|
170
170
|
absDelta = 0.1,
|
|
@@ -182,7 +182,7 @@ class CryspyParser:
|
|
|
182
182
|
shortPrettyName = 'c',
|
|
183
183
|
icon = 'ruler',
|
|
184
184
|
categoryIcon = 'cube',
|
|
185
|
-
url = 'https://docs.easydiffraction.org/
|
|
185
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_cell/',
|
|
186
186
|
cifDict = 'core',
|
|
187
187
|
enabled = not item.length_c_constraint,
|
|
188
188
|
absDelta = 0.1,
|
|
@@ -200,7 +200,7 @@ class CryspyParser:
|
|
|
200
200
|
shortPrettyName = 'α',
|
|
201
201
|
icon = 'ruler',
|
|
202
202
|
categoryIcon = 'less-than',
|
|
203
|
-
url = 'https://docs.easydiffraction.org/
|
|
203
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_cell/',
|
|
204
204
|
cifDict = 'core',
|
|
205
205
|
enabled = not item.angle_alpha_constraint,
|
|
206
206
|
absDelta = 1.0,
|
|
@@ -218,7 +218,7 @@ class CryspyParser:
|
|
|
218
218
|
shortPrettyName = 'β',
|
|
219
219
|
icon = 'ruler',
|
|
220
220
|
categoryIcon = 'less-than',
|
|
221
|
-
url = 'https://docs.easydiffraction.org/
|
|
221
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_cell/',
|
|
222
222
|
cifDict = 'core',
|
|
223
223
|
enabled = not item.angle_alpha_constraint,
|
|
224
224
|
absDelta = 1.0,
|
|
@@ -236,7 +236,7 @@ class CryspyParser:
|
|
|
236
236
|
shortPrettyName = 'γ',
|
|
237
237
|
icon = 'ruler',
|
|
238
238
|
categoryIcon = 'less-than',
|
|
239
|
-
url = 'https://docs.easydiffraction.org/
|
|
239
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_cell/',
|
|
240
240
|
cifDict = 'core',
|
|
241
241
|
enabled = not item.angle_alpha_constraint,
|
|
242
242
|
absDelta = 1.0,
|
|
@@ -259,7 +259,7 @@ class CryspyParser:
|
|
|
259
259
|
category = '_atom_site',
|
|
260
260
|
name = 'label',
|
|
261
261
|
shortPrettyName = 'label',
|
|
262
|
-
url = 'https://docs.easydiffraction.org/
|
|
262
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_atom_site/',
|
|
263
263
|
cifDict = 'core'
|
|
264
264
|
))
|
|
265
265
|
ed_atom['type_symbol'] = dict(Parameter(
|
|
@@ -268,7 +268,7 @@ class CryspyParser:
|
|
|
268
268
|
category = '_atom_site',
|
|
269
269
|
name = 'type_symbol',
|
|
270
270
|
shortPrettyName = 'type',
|
|
271
|
-
url = 'https://docs.easydiffraction.org/
|
|
271
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_atom_site/',
|
|
272
272
|
cifDict = 'core'
|
|
273
273
|
))
|
|
274
274
|
ed_atom['fract_x'] = dict(Parameter(
|
|
@@ -283,7 +283,7 @@ class CryspyParser:
|
|
|
283
283
|
shortPrettyName = 'x',
|
|
284
284
|
icon = 'map-marker-alt',
|
|
285
285
|
categoryIcon = 'atom',
|
|
286
|
-
url = 'https://docs.easydiffraction.org/
|
|
286
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_atom_site/',
|
|
287
287
|
cifDict = 'core',
|
|
288
288
|
enabled = not cryspy_atom.fract_x_constraint,
|
|
289
289
|
absDelta = 0.05,
|
|
@@ -302,7 +302,7 @@ class CryspyParser:
|
|
|
302
302
|
shortPrettyName = 'y',
|
|
303
303
|
icon = 'map-marker-alt',
|
|
304
304
|
categoryIcon = 'atom',
|
|
305
|
-
url = 'https://docs.easydiffraction.org/
|
|
305
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_atom_site/',
|
|
306
306
|
cifDict = 'core',
|
|
307
307
|
enabled = not cryspy_atom.fract_y_constraint,
|
|
308
308
|
absDelta = 0.05,
|
|
@@ -321,7 +321,7 @@ class CryspyParser:
|
|
|
321
321
|
shortPrettyName = 'z',
|
|
322
322
|
icon = 'map-marker-alt',
|
|
323
323
|
categoryIcon = 'atom',
|
|
324
|
-
url = 'https://docs.easydiffraction.org/
|
|
324
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_atom_site/',
|
|
325
325
|
cifDict = 'core',
|
|
326
326
|
enabled = not cryspy_atom.fract_z_constraint,
|
|
327
327
|
absDelta = 0.05,
|
|
@@ -340,7 +340,7 @@ class CryspyParser:
|
|
|
340
340
|
shortPrettyName = 'occ',
|
|
341
341
|
icon = 'fill',
|
|
342
342
|
categoryIcon = 'atom',
|
|
343
|
-
url = 'https://docs.easydiffraction.org/
|
|
343
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_atom_site/',
|
|
344
344
|
cifDict = 'core',
|
|
345
345
|
enabled = not cryspy_atom.occupancy_constraint,
|
|
346
346
|
absDelta = 0.05,
|
|
@@ -353,7 +353,7 @@ class CryspyParser:
|
|
|
353
353
|
category = '_atom_site',
|
|
354
354
|
name = 'ADP_type',
|
|
355
355
|
shortPrettyName = 'type',
|
|
356
|
-
url = 'https://docs.easydiffraction.org/
|
|
356
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_atom_site/',
|
|
357
357
|
cifDict = 'core'
|
|
358
358
|
))
|
|
359
359
|
ed_atom['B_iso_or_equiv'] = dict(Parameter(
|
|
@@ -368,7 +368,7 @@ class CryspyParser:
|
|
|
368
368
|
shortPrettyName = 'iso',
|
|
369
369
|
icon = 'arrows-alt',
|
|
370
370
|
categoryIcon = 'atom',
|
|
371
|
-
url = 'https://docs.easydiffraction.org/
|
|
371
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_atom_site/',
|
|
372
372
|
cifDict = 'core',
|
|
373
373
|
enabled = not cryspy_atom.b_iso_or_equiv_constraint,
|
|
374
374
|
absDelta = 0.1,
|
|
@@ -382,7 +382,7 @@ class CryspyParser:
|
|
|
382
382
|
idx = idx,
|
|
383
383
|
category = '_atom_site',
|
|
384
384
|
name = 'site_symmetry_multiplicity',
|
|
385
|
-
url = 'https://docs.easydiffraction.org/
|
|
385
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_atom_site/',
|
|
386
386
|
cifDict = 'core'
|
|
387
387
|
))
|
|
388
388
|
ed_atom['Wyckoff_symbol'] = dict(Parameter(
|
|
@@ -390,7 +390,7 @@ class CryspyParser:
|
|
|
390
390
|
optional = True,
|
|
391
391
|
category = '_atom_site',
|
|
392
392
|
name = 'Wyckoff_symbol',
|
|
393
|
-
url = 'https://docs.easydiffraction.org/
|
|
393
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_atom_site/',
|
|
394
394
|
cifDict = 'core'
|
|
395
395
|
))
|
|
396
396
|
ed_atoms.append(ed_atom)
|
|
@@ -428,12 +428,12 @@ class CryspyParser:
|
|
|
428
428
|
ed_experiment_no_meas['name'] = dict(Parameter(
|
|
429
429
|
data_block_name,
|
|
430
430
|
icon = 'microscope',
|
|
431
|
-
url = 'https://docs.easydiffraction.org/
|
|
431
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/',
|
|
432
432
|
))
|
|
433
433
|
ed_experiment_meas_only['name'] = dict(Parameter(
|
|
434
434
|
data_block_name,
|
|
435
435
|
icon = 'microscope',
|
|
436
|
-
url = 'https://docs.easydiffraction.org/
|
|
436
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/',
|
|
437
437
|
))
|
|
438
438
|
|
|
439
439
|
for item in cryspy_experiment:
|
|
@@ -450,7 +450,7 @@ class CryspyParser:
|
|
|
450
450
|
name = '2theta_range_min',
|
|
451
451
|
prettyName = 'range min',
|
|
452
452
|
shortPrettyName = 'min',
|
|
453
|
-
url = 'https://docs.easydiffraction.org/
|
|
453
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/',
|
|
454
454
|
cifDict = 'pd'
|
|
455
455
|
))
|
|
456
456
|
ed_experiment_no_meas['params']['_pd_meas']['2theta_range_max'] = dict(Parameter(
|
|
@@ -460,7 +460,7 @@ class CryspyParser:
|
|
|
460
460
|
name = '2theta_range_max',
|
|
461
461
|
prettyName = 'range max',
|
|
462
462
|
shortPrettyName = 'max',
|
|
463
|
-
url = 'https://docs.easydiffraction.org/
|
|
463
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/',
|
|
464
464
|
cifDict = 'pd'
|
|
465
465
|
))
|
|
466
466
|
ed_experiment_no_meas['params']['_pd_meas']['2theta_range_inc'] = dict(Parameter(
|
|
@@ -470,7 +470,7 @@ class CryspyParser:
|
|
|
470
470
|
name = '2theta_range_inc',
|
|
471
471
|
prettyName = 'range inc',
|
|
472
472
|
shortPrettyName = 'inc',
|
|
473
|
-
url = 'https://docs.easydiffraction.org/
|
|
473
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/',
|
|
474
474
|
cifDict = 'pd'
|
|
475
475
|
))
|
|
476
476
|
|
|
@@ -489,7 +489,7 @@ class CryspyParser:
|
|
|
489
489
|
category = '_diffrn_radiation',
|
|
490
490
|
name = 'probe',
|
|
491
491
|
shortPrettyName = 'probe',
|
|
492
|
-
url = 'https://docs.easydiffraction.org/
|
|
492
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_diffrn_radiation/',
|
|
493
493
|
cifDict = 'core'
|
|
494
494
|
))
|
|
495
495
|
if '_diffrn_radiation_wavelength' not in ed_experiment_no_meas['params']:
|
|
@@ -503,7 +503,7 @@ class CryspyParser:
|
|
|
503
503
|
prettyName = 'wavelength',
|
|
504
504
|
shortPrettyName = 'wavelength',
|
|
505
505
|
icon = 'radiation',
|
|
506
|
-
url = 'https://docs.easydiffraction.org/
|
|
506
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_diffrn_radiation/',
|
|
507
507
|
cifDict = 'core',
|
|
508
508
|
absDelta = 0.01,
|
|
509
509
|
units = 'Å',
|
|
@@ -521,7 +521,7 @@ class CryspyParser:
|
|
|
521
521
|
prettyName = '2θ offset',
|
|
522
522
|
shortPrettyName = 'offset',
|
|
523
523
|
icon = 'arrows-alt-h',
|
|
524
|
-
url = 'https://docs.easydiffraction.org/
|
|
524
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_pd_calib/',
|
|
525
525
|
cifDict = 'pd',
|
|
526
526
|
absDelta = 0.2,
|
|
527
527
|
units = '°',
|
|
@@ -542,7 +542,7 @@ class CryspyParser:
|
|
|
542
542
|
prettyName = 'resolution u',
|
|
543
543
|
shortPrettyName = 'u',
|
|
544
544
|
icon = 'grip-lines-vertical',
|
|
545
|
-
url = 'https://docs.easydiffraction.org/
|
|
545
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_pd_instr/',
|
|
546
546
|
absDelta = 0.1,
|
|
547
547
|
fittable = True,
|
|
548
548
|
fit = item.u_refinement
|
|
@@ -556,7 +556,7 @@ class CryspyParser:
|
|
|
556
556
|
prettyName = 'resolution v',
|
|
557
557
|
shortPrettyName = 'v',
|
|
558
558
|
icon = 'grip-lines-vertical',
|
|
559
|
-
url = 'https://docs.easydiffraction.org/
|
|
559
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_pd_instr/',
|
|
560
560
|
absDelta = 0.1,
|
|
561
561
|
fittable = True,
|
|
562
562
|
fit = item.v_refinement
|
|
@@ -570,7 +570,7 @@ class CryspyParser:
|
|
|
570
570
|
prettyName = 'resolution w',
|
|
571
571
|
shortPrettyName = 'w',
|
|
572
572
|
icon = 'grip-lines-vertical',
|
|
573
|
-
url = 'https://docs.easydiffraction.org/
|
|
573
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_pd_instr/',
|
|
574
574
|
absDelta = 0.1,
|
|
575
575
|
fittable = True,
|
|
576
576
|
fit = item.w_refinement
|
|
@@ -584,7 +584,7 @@ class CryspyParser:
|
|
|
584
584
|
prettyName = 'resolution x',
|
|
585
585
|
shortPrettyName = 'x',
|
|
586
586
|
icon = 'grip-lines-vertical',
|
|
587
|
-
url = 'https://docs.easydiffraction.org/
|
|
587
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_pd_instr/',
|
|
588
588
|
absDelta = 0.1,
|
|
589
589
|
fittable = True,
|
|
590
590
|
fit = item.x_refinement
|
|
@@ -598,7 +598,7 @@ class CryspyParser:
|
|
|
598
598
|
prettyName = 'resolution y',
|
|
599
599
|
shortPrettyName = 'y',
|
|
600
600
|
icon = 'grip-lines-vertical',
|
|
601
|
-
url = 'https://docs.easydiffraction.org/
|
|
601
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_pd_instr/',
|
|
602
602
|
absDelta = 0.1,
|
|
603
603
|
fittable = True,
|
|
604
604
|
fit = item.y_refinement
|
|
@@ -617,7 +617,7 @@ class CryspyParser:
|
|
|
617
617
|
prettyName = 'asymmetry p1',
|
|
618
618
|
shortPrettyName = 'p1',
|
|
619
619
|
icon = 'balance-scale-left',
|
|
620
|
-
url = 'https://docs.easydiffraction.org/
|
|
620
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_pd_instr/',
|
|
621
621
|
absDelta = 0.5,
|
|
622
622
|
fittable = True,
|
|
623
623
|
fit = item.p1_refinement
|
|
@@ -631,7 +631,7 @@ class CryspyParser:
|
|
|
631
631
|
prettyName = 'asymmetry p2',
|
|
632
632
|
shortPrettyName = 'p2',
|
|
633
633
|
icon = 'balance-scale-left',
|
|
634
|
-
url = 'https://docs.easydiffraction.org/
|
|
634
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_pd_instr/',
|
|
635
635
|
absDelta = 0.5,
|
|
636
636
|
fittable = True,
|
|
637
637
|
fit = item.p2_refinement
|
|
@@ -645,7 +645,7 @@ class CryspyParser:
|
|
|
645
645
|
prettyName = 'asymmetry p3',
|
|
646
646
|
shortPrettyName = 'p3',
|
|
647
647
|
icon = 'balance-scale-left',
|
|
648
|
-
url = 'https://docs.easydiffraction.org/
|
|
648
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_pd_instr/',
|
|
649
649
|
absDelta = 0.5,
|
|
650
650
|
fittable = True,
|
|
651
651
|
fit = item.p3_refinement
|
|
@@ -659,7 +659,7 @@ class CryspyParser:
|
|
|
659
659
|
prettyName = 'asymmetry p4',
|
|
660
660
|
shortPrettyName = 'p4',
|
|
661
661
|
icon = 'balance-scale-left',
|
|
662
|
-
url = 'https://docs.easydiffraction.org/
|
|
662
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_pd_instr/',
|
|
663
663
|
absDelta = 0.5,
|
|
664
664
|
fittable = True,
|
|
665
665
|
fit = item.p4_refinement))
|
|
@@ -676,7 +676,7 @@ class CryspyParser:
|
|
|
676
676
|
category = '_pd_phase_block',
|
|
677
677
|
name = 'id',
|
|
678
678
|
shortPrettyName = 'label',
|
|
679
|
-
url = 'https://docs.easydiffraction.org/
|
|
679
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_phase/',
|
|
680
680
|
cifDict = 'pd'
|
|
681
681
|
))
|
|
682
682
|
ed_phase['scale'] = dict(Parameter(
|
|
@@ -691,7 +691,7 @@ class CryspyParser:
|
|
|
691
691
|
shortPrettyName = 'scale',
|
|
692
692
|
icon = 'weight',
|
|
693
693
|
categoryIcon = 'layer-group',
|
|
694
|
-
url = 'https://docs.easydiffraction.org/
|
|
694
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_phase/',
|
|
695
695
|
cifDict = 'pd',
|
|
696
696
|
pctDelta = 25,
|
|
697
697
|
fittable = True,
|
|
@@ -713,7 +713,7 @@ class CryspyParser:
|
|
|
713
713
|
name = 'line_segment_X',
|
|
714
714
|
prettyName = '2θ',
|
|
715
715
|
shortPrettyName = '2θ',
|
|
716
|
-
url = 'https://docs.easydiffraction.org/
|
|
716
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_pd_background/',
|
|
717
717
|
cifDict = 'pd'
|
|
718
718
|
))
|
|
719
719
|
ed_bkg_point['line_segment_intensity'] = dict(Parameter(
|
|
@@ -728,7 +728,7 @@ class CryspyParser:
|
|
|
728
728
|
shortPrettyName = 'Ibkg',
|
|
729
729
|
icon = 'mountain',
|
|
730
730
|
categoryIcon = 'wave-square',
|
|
731
|
-
url = 'https://docs.easydiffraction.org/
|
|
731
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_pd_background/',
|
|
732
732
|
cifDict = 'pd',
|
|
733
733
|
pctDelta = 25,
|
|
734
734
|
fittable = True,
|
|
@@ -741,7 +741,7 @@ class CryspyParser:
|
|
|
741
741
|
name = 'X_coordinate',
|
|
742
742
|
prettyName = 'X coord',
|
|
743
743
|
shortPrettyName = 'X coord',
|
|
744
|
-
url = 'https://docs.easydiffraction.org/
|
|
744
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_pd_background/',
|
|
745
745
|
cifDict = 'pd'
|
|
746
746
|
))
|
|
747
747
|
ed_bkg_points.append(ed_bkg_point)
|
|
@@ -759,7 +759,7 @@ class CryspyParser:
|
|
|
759
759
|
category = '_pd_meas',
|
|
760
760
|
name = '2theta_scan',
|
|
761
761
|
shortPrettyName = '2θ',
|
|
762
|
-
url = 'https://docs.easydiffraction.org/
|
|
762
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_pd_meas/',
|
|
763
763
|
cifDict = 'pd'
|
|
764
764
|
))
|
|
765
765
|
ed_meas_point['intensity_total'] = dict(Parameter(
|
|
@@ -768,7 +768,7 @@ class CryspyParser:
|
|
|
768
768
|
category = '_pd_meas',
|
|
769
769
|
name = 'intensity_total',
|
|
770
770
|
shortPrettyName = 'I',
|
|
771
|
-
url = 'https://docs.easydiffraction.org/
|
|
771
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_pd_meas/',
|
|
772
772
|
cifDict = 'pd'
|
|
773
773
|
))
|
|
774
774
|
ed_meas_point['intensity_total_su'] = dict(Parameter(
|
|
@@ -777,7 +777,7 @@ class CryspyParser:
|
|
|
777
777
|
category = '_pd_meas',
|
|
778
778
|
name = 'intensity_total_su',
|
|
779
779
|
shortPrettyName = 'sI',
|
|
780
|
-
url = 'https://docs.easydiffraction.org/
|
|
780
|
+
url = 'https://docs.easydiffraction.org/lib/dictionaries/_pd_meas/',
|
|
781
781
|
cifDict = 'pd'
|
|
782
782
|
))
|
|
783
783
|
ed_meas_points.append(ed_meas_point)
|