oxi_state = ctc.AutoOxiStateDecorationTransformationComponent()
slab = ctc.SlabTransformationComponent()
substitution = ctc.SubstitutionTransformationComponent()
transformation_component = ctc.AllTransformationsComponent(
transformations=[supercell, slab, grain_boundary, oxi_state, substitution]
)
json_editor_component = ctc.JSONEditor()
json_editor_component.attach_from(transformation_component, origin_store_name="out")
struct_component = ctc.StructureMoleculeComponent()
struct_component.attach_from(json_editor_component, origin_store_name="out")
# TODO: change to link to struct_or_mol ?
download_component = ctc.DownloadPanelComponent(origin_component=struct_component)
search_component = ctc.SearchComponent()
upload_component = ctc.StructureMoleculeUploadComponent()
favorites_component = ctc.FavoritesComponent()
favorites_component.attach_from(search_component, this_store_name="current-mpid")
literature_component = ctc.LiteratureComponent(origin_component=struct_component)
robocrys_component = ctc.RobocrysComponent(origin_component=struct_component)
magnetism_component = ctc.MagnetismComponent(origin_component=struct_component)
xrd_component = ctc.XRayDiffractionPanelComponent(origin_component=struct_component)
pd_component = ctc.PhaseDiagramPanelComponent(origin_component=struct_component)
symmetry_component = ctc.SymmetryComponent(origin_component=struct_component)
bonding_graph_component = ctc.BondingGraphComponent()
"SupercellTransformationComponent",
"AutoOxiStateDecorationTransformationComponent",
"CubicSupercellTransformationComponent",
"GrainBoundaryTransformationComponent",
"MonteCarloRattleTransformationComponent",
"SlabTransformationComponent",
"SubstitutionTransformationComponent",
]
)
struct_component = ctc.StructureMoleculeComponent(
links={"default": transformation_component.id()}
)
download_component = ctc.DownloadPanelComponent(
links={"default": struct_component.id()}
)
robocrys_panel = ctc.RobocrysComponent(links={"default": transformation_component.id()})
xrd_panel = ctc.DiffractionPanelComponent(
links={"default": transformation_component.id()}
)
# pbx_component = ctc.PourbaixDiagramPanelComponent(origin_component=struct_component)
#
symmetry_panel = ctc.SymmetryPanel(links={"default": struct_component.id()})
localenv_panel = ctc.LocalEnvironmentPanel(
links={
"default": struct_component.id(),
"graph": struct_component.id("graph"),
"display_options": struct_component.id("display_options"),
}