27 lines
991 B
Python
Executable File
27 lines
991 B
Python
Executable File
"""
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This is a wrapper module that provides access to the mattergen modules
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by modifying the Python path at runtime.
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"""
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import sys
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import os
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from pathlib import Path
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from .config import config
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# Add the mattergen directory to the Python path
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mattergen_dir = config.MATTERGEN_ROOT
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sys.path.insert(0, mattergen_dir)
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# Import the necessary modules from the mattergen package
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try:
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from mattergen import generator
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from mattergen.common.data import chemgraph
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from mattergen.common.data.types import TargetProperty
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from mattergen.common.utils.eval_utils import MatterGenCheckpointInfo
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from mattergen.common.utils.data_classes import PRETRAINED_MODEL_NAME
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except ImportError as e:
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print(f"Error importing mattergen modules: {e}")
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print(f"Python path: {sys.path}")
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raise
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CrystalGenerator = generator.CrystalGenerator
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# Re-export the modules
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__all__ = ['generator', 'chemgraph', 'TargetProperty', 'MatterGenCheckpointInfo', 'PRETRAINED_MODEL_NAME','CrystalGenerator']
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