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update: fix all
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17 files changed

+47
-66
lines changed

17 files changed

+47
-66
lines changed

src/py/mat3ra/made/tools/analyze/crystal_site/adatom_crystal_site_material_analyzer.py

Lines changed: 1 addition & 1 deletion
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@@ -1,8 +1,8 @@
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from typing import List
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from mat3ra.made.material import Material
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from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.builder import SlabBuilder
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from ...build_components.entities.reusable.two_dimensional.slab_stack.helpers import (
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recreate_slab_with_fractional_layers,
88
)

src/py/mat3ra/made/tools/analyze/interface/grain_boundary.py

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@@ -6,9 +6,9 @@
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SupercellMatrix2DSchema,
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)
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from mat3ra.made.material import Material
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from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.configuration import SlabConfiguration
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from pydantic import model_validator
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from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.configuration import SlabConfiguration
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from .utils.holders import MatchedSubstrateFilmConfigurationHolder
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from .zsl import ZSLInterfaceAnalyzer
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src/py/mat3ra/made/tools/analyze/interface/simple.py

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@@ -7,15 +7,13 @@
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from mat3ra.esse.models.materials_category_components.entities.auxiliary.two_dimensional.supercell_matrix_2d import (
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SupercellMatrix2DSchema,
99
)
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from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.build_parameters import SlabBuilderParameters
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from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.builder import SlabBuilder
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from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.configuration import SlabConfiguration
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from ...build.pristine_structures.two_dimensional.slab_strained_supercell.configuration import (
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SlabStrainedSupercellConfiguration,
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)
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from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.build_parameters import (
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SlabBuilderParameters,
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)
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from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.builder import SlabBuilder
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from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.configuration import SlabConfiguration
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from ..interface.utils.holders import MatchedSubstrateFilmConfigurationHolder
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src/py/mat3ra/made/tools/analyze/interface/twisted_nanoribbons.py

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@@ -1,8 +1,8 @@
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from typing import Tuple
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from mat3ra.made.material import Material
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from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.configuration import SlabConfiguration
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from ...modify import translate_to_center
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from ...operations.core.unary import rotate
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from ..other import get_surface_area

src/py/mat3ra/made/tools/analyze/interface/zsl.py

Lines changed: 1 addition & 1 deletion
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@@ -8,11 +8,11 @@
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from mat3ra.esse.models.materials_category_components.entities.auxiliary.two_dimensional.supercell_matrix_2d import (
99
SupercellMatrix2DSchema,
1010
)
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from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.builder import SlabBuilder
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from mat3ra.utils.matrix import convert_2x2_to_3x3
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from pymatgen.analysis.interfaces.coherent_interfaces import ZSLGenerator as PymatgenZSLGenerator
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from ...build_components import MaterialWithBuildMetadata
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from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.builder import SlabBuilder
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from ..interface.simple import InterfaceAnalyzer
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from ..interface.utils.holders import MatchedSubstrateFilmConfigurationHolder
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from ..utils import calculate_von_mises_strain

src/py/mat3ra/made/tools/analyze/slab.py

Lines changed: 2 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -2,13 +2,11 @@
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from typing import Type
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5+
from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.build_parameters import SlabBuilderParameters
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from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.configuration import SlabConfiguration
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from mat3ra.made.utils import adjust_material_cell_to_set_gap_along_direction, get_atomic_coordinates_extremum
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from ..build_components.entities.core.two_dimensional.vacuum.configuration import VacuumConfiguration
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from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.build_parameters import (
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SlabBuilderParameters,
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)
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from mat3ra.made.tools.build.pristine_structures.two_dimensional.slab.configuration import SlabConfiguration
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from ..build_components.metadata import MaterialWithBuildMetadata
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from .build_metadata_analyzer import BuildMetadataAnalyzer
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from .crystal_site.crystal_site_analyzer import CrystalSiteAnalyzer

src/py/mat3ra/made/tools/build/pristine_structures/two_dimensional/slab/configuration.py

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@@ -5,7 +5,9 @@
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from mat3ra.made.material import Material
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from .....analyze.lattice_planes import CrystalLatticePlanesMaterialAnalyzer
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from .....build_components.entities.reusable.two_dimensional import AtomicLayersUniqueRepeatedConfiguration
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from .....build_components.entities.reusable.two_dimensional.atomic_layers_unique_repeated.configuration import (
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AtomicLayersUniqueRepeatedConfiguration,
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)
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from .....build_components.metadata import MaterialWithBuildMetadata
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from .....build_components import select_slab_termination
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from .....build_components.operations.core.combinations.stack.configuration import StackConfiguration
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@@ -1,11 +1,12 @@
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from .atomic_layers_unique_repeated import AtomicLayersUniqueRepeatedBuilder, AtomicLayersUniqueRepeatedConfiguration
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from .crystal_lattice_planes import CrystalLatticePlanesBuilder, CrystalLatticePlanesConfiguration
3-
from .slab_stack import (
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SlabStackBuilder,
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SlabStackConfiguration,
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create_slab_stack,
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recreate_slab_with_fractional_layers,
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)
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4+
# from .slab_stack import (
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# SlabStackBuilder,
6+
# SlabStackConfiguration,
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# create_slab_stack,
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# recreate_slab_with_fractional_layers,
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# )
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__all__ = [
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# atomic_layers
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"CrystalLatticePlanesBuilder",
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"CrystalLatticePlanesConfiguration",
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# slab_stack
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"SlabStackBuilder",
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"SlabStackConfiguration",
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"create_slab_stack",
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"recreate_slab_with_fractional_layers",
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# "SlabStackBuilder",
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# "SlabStackConfiguration",
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# "create_slab_stack",
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# "recreate_slab_with_fractional_layers",
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]

src/py/mat3ra/made/tools/build_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated/helpers.py

Lines changed: 4 additions & 3 deletions
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@@ -1,9 +1,10 @@
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from typing import Union, Tuple, Optional
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from typing import Optional, Tuple, Union
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from mat3ra.made.material import Material
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from .. import AtomicLayersUniqueRepeatedConfiguration, AtomicLayersUniqueRepeatedBuilder
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from ....auxiliary.two_dimensional.termination import Termination
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from ..... import MaterialWithBuildMetadata
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from ....auxiliary.two_dimensional.termination import Termination
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from .. import AtomicLayersUniqueRepeatedBuilder, AtomicLayersUniqueRepeatedConfiguration
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def create_atomic_layers(

src/py/mat3ra/made/tools/build_components/entities/reusable/two_dimensional/slab_stack/builder.py

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@@ -2,9 +2,10 @@
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from mat3ra.made.tools.build_components.entities.reusable.base_builder import TypeConfiguration
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5+
from ......build.pristine_structures.two_dimensional.slab import SlabBuilder
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from ......build.pristine_structures.two_dimensional.slab.configuration import SlabConfiguration
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from ..... import MaterialWithBuildMetadata
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from .....operations.core.combinations.stack.builder import StackNComponentsBuilder
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from ......build.pristine_structures.two_dimensional.slab.configuration import SlabConfiguration
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from .configuration import SlabStackConfiguration
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1011

@@ -13,7 +14,6 @@ class SlabStackBuilder(StackNComponentsBuilder):
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@property
1516
def stack_component_types_conversion_map(self):
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from ......build.pristine_structures.two_dimensional.slab.builder import SlabBuilder
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return {
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**super().stack_component_types_conversion_map,
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SlabConfiguration: SlabBuilder,

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