diff --git a/pyproject.toml b/pyproject.toml index 630b16e..e687c57 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -27,7 +27,7 @@ classifiers = [ dependencies = [ "h5py>=3.6.0", "xarray>=0.20.2", - "pynxtools>=0.9.0", + "pynxtools @ git+https://github.com/FAIRmat-NFDI/pynxtools.git@no_inner_sections", ] [project.optional-dependencies] diff --git a/src/pynxtools_mpes/nomad/entrypoints.py b/src/pynxtools_mpes/nomad/entrypoints.py index 3096f85..dce589a 100644 --- a/src/pynxtools_mpes/nomad/entrypoints.py +++ b/src/pynxtools_mpes/nomad/entrypoints.py @@ -50,7 +50,7 @@ SearchQuantities, ) -schema = "pynxtools.nomad.schema.NeXus" +schema = "pynxtools.nomad.schema.Root" mpes_app = AppEntryPoint( name="MpesApp", @@ -79,17 +79,17 @@ Column(quantity=f"entry_type", selected=True), Column( title="definition", - quantity=f"data.*.ENTRY[*].definition__field#{schema}", + quantity=f"data.ENTRY[*].definition__field#{schema}", selected=True, ), Column( title="start_time", - quantity=f"data.*.ENTRY[*].start_time__field#{schema}", + quantity=f"data.ENTRY[*].start_time__field#{schema}", selected=True, ), Column( title="title", - quantity=f"data.*.ENTRY[*].title__field#{schema}", + quantity=f"data.ENTRY[*].title__field#{schema}", selected=True, ), ], @@ -100,7 +100,7 @@ # MySchema are included. filters_locked={ "text_search_contents": [ - "data.Mpes.ENTRY.definition__field=NXmpes OR data.Mpes_arpes.ENTRY.definition__field=NXmpes_arpes" + "data.ENTRY.definition__field==NXmpes OR data.ENTRY.definition__field==NXmpes_arpes" ] }, # Controls the menu shown on the left @@ -139,30 +139,74 @@ "autorange": True, "nbins": 30, "scale": "linear", - "quantity": f"data.Root.datetime#{schema}", - "title": "Procesing Time", + "quantity": f"data.ENTRY.start_time__field#{schema}", + "title": "Start Time", "layout": { - "lg": {"minH": 3, "minW": 3, "h": 4, "w": 12, "y": 0, "x": 0} + "lg": {"minH": 3, "minW": 3, "h": 4, "w": 6, "y": 0, "x": 0} + }, + }, + { + "type": "histogram", + "show_input": False, + "autorange": True, + "nbins": 30, + "scale": "linear", + "quantity": f"data.ENTRY.SAMPLE.temperature_env.temperature_sensor.value__field#pynxtools.nomad.schema.Root#float", + "title": "Temperature", + "layout": { + "lg": {"minH": 3, "minW": 3, "h": 4, "w": 6, "y": 0, "x": 7} + }, + }, + { + "type": "histogram", + "show_input": False, + "autorange": True, + "nbins": 30, + "scale": "linear", + "quantity": f"data.ENTRY.INSTRUMENT.beamTYPE.fluence__field#pynxtools.nomad.schema.Root#float", + "title": "Pump Fluence", + "layout": { + "lg": {"minH": 3, "minW": 3, "h": 4, "w": 6, "y": 0, "x": 13} }, }, { "type": "terms", "show_input": False, "scale": "linear", - "quantity": f"entry_type", - "title": "Entry Type", + "quantity": f"data.ENTRY.SAMPLE.SUBSTANCE.molecular_formula_hill__field#pynxtools.nomad.schema.Root#str", + "title": "Material", "layout": { - "lg": {"minH": 3, "minW": 3, "h": 8, "w": 4, "y": 0, "x": 12} + "lg": {"minH": 3, "minW": 3, "h": 5, "w": 6, "y": 4, "x": 0} }, }, { - "type": "periodic_table", + "type": "terms", + "show_input": False, + "scale": "linear", + "quantity": f"data.ENTRY.INSTRUMENT.name__field#pynxtools.nomad.schema.Root#str", + "title": "Instrument", + "layout": { + "lg": {"minH": 3, "minW": 3, "h": 5, "w": 6, "y": 4, "x": 6} + }, + }, + { + "type": "terms", + "show_input": False, "scale": "linear", - "quantity": f"results.material.elements", + "quantity": f"data.ENTRY.USER.name__field#pynxtools.nomad.schema.Root#str", + "title": "User", "layout": { - "lg": {"minH": 3, "minW": 3, "h": 4, "w": 12, "y": 4, "x": 0} + "lg": {"minH": 3, "minW": 3, "h": 5, "w": 6, "y": 4, "x": 12} }, }, + # { + # "type": "periodic_table", + # "scale": "linear", + # "quantity": f"results.material.elements", + # "layout": { + # "lg": {"minH": 3, "minW": 3, "h": 6, "w": 12, "y": 4, "x": 0} + # }, + # }, ] }, ),