diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 713e72d7..3ce38e6b 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -14,7 +14,7 @@ on: branches: [ master ] paths-ignore: - '.github/**' - workflow_dispatch: + workflow_dispatch: # A workflow run is made up of one or more jobs that can run sequentially or in parallel jobs: @@ -27,7 +27,7 @@ jobs: # Checks-out your repository under $GITHUB_WORKSPACE, so your job can access it - name: checkout uses: actions/checkout@v4 - + # Check syntax of all CIF files - name: check_syntax uses: COMCIFS/cif_syntax_check_action@master @@ -43,7 +43,7 @@ jobs: with: path: ~/.julia key: ${{ runner.os }}-julia-v2 - + - name: Install Julia uses: julia-actions/setup-julia@v1 with: @@ -77,13 +77,13 @@ jobs: run: | julia -e 'using Pkg; Pkg.status()' for file in main/*.dic - do + do echo "Checking $file" julia -O0 ./julia_cif_tools/linter.jl -i $PWD/cif_core $file cif_core/ddl.dic - if [ $? != 0 ] - then + if [ $? != 0 ] + then exit 1 ; - fi + fi done ddlm: runs-on: ubuntu-latest diff --git a/cif_pow.dic b/cif_pow.dic index c69bd1f5..e2d2087c 100644 --- a/cif_pow.dic +++ b/cif_pow.dic @@ -43,6 +43,9 @@ save_PD_GROUP _import.get [ + { + 'dupl':Ignore 'file':cif_img.dic 'mode':Full 'save':HEAD + } { 'dupl':Ignore 'file':multi_block_core.dic 'mode':Full 'save':MULTIBLOCK_CORE @@ -6805,6 +6808,26 @@ save_pd_diffractogram.instr_id save_ +save_pd_diffractogram.scan_id + + _definition.id '_pd_diffractogram.scan_id' + _definition.update 2025-07-01 + _description.text +; + The identifier for the group of imgCIF images used to produce the + diffractogram. Each group of images is known as a scan, and the images + belonging to each scan are described using imgCIF data names. +; + _name.category_id pd_diffractogram + _name.object_id scan_id + _name.linked_item_id '_diffrn_scan.id' + _type.purpose Link + _type.source Assigned + _type.container Single + _type.contents Text + +save_ + save_pd_diffractogram.spec_id _definition.id '_pd_diffractogram.spec_id' @@ -14351,8 +14374,11 @@ save_ Added _pd_meas_overall.step_count_time. - Removed _pd_calib_detected_intensity.id as data item and category key - of PD_CALIB_DETECTED_INTENSITY. + Update PD_DIFFRACTOGRAM to link to the imgCIF scan from which the + diffractogram was created. + + Removed _pd_calib_detected_intensity.id as data item and category + key of PD_CALIB_DETECTED_INTENSITY. Update PD_INSTR and PD_INSTR_DETECTOR descriptions.