midas-diffract 0.1.0__py3-none-any.whl

midas_diffract/__init__.py

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+"""midas-diffract: End-to-end differentiable forward model for HEDM.
+
+A PyTorch-based differentiable forward simulator for far-field, near-field,
+and point-focused High-Energy Diffraction Microscopy, with pixel-exact
+agreement against the canonical C reference simulators in MIDAS.
+
+See the companion paper for methodology:
+    Sharma, Zhang, Andrejevic, Cherukara, "An End-to-End Differentiable Forward
+    Model for High-Energy Diffraction Microscopy," IUCrJ (in prep, 2026).
+
+Quick start
+-----------
+    import torch
+    import midas_diffract as md
+
+    # Construct the forward model from geometry + reflection list
+    geom = md.HEDMGeometry(Lsd=..., y_BC=..., z_BC=..., px=..., ...)
+    model = md.HEDMForwardModel(hkls=hkls_cart, thetas=thetas,
+                                geometry=geom, hkls_int=hkls_int)
+
+    # Forward: grain state -> predicted spots
+    euler = torch.tensor([[phi1, Phi, phi2]], requires_grad=True)
+    pos   = torch.tensor([[x, y, z]], requires_grad=True)
+    spots = model(euler, pos, lattice_params=latc)
+
+    # Scalar loss -> gradient to all inputs via autograd
+    loss = (spots.omega * spots.valid).pow(2).sum()
+    loss.backward()
+"""
+
+__version__ = "0.1.0"
+
+from .forward import (
+    HEDMForwardModel,
+    HEDMGeometry,
+    ScanConfig,
+    TriVoxelConfig,
+    SpotDescriptors,
+)
+from .hkls import hkls_for_forward_model
+from .losses import SpotMatchingLoss
+from .optimize import optimize_single_grain, evaluate_recovery
+
+__all__ = [
+    "HEDMForwardModel",
+    "HEDMGeometry",
+    "ScanConfig",
+    "TriVoxelConfig",
+    "SpotDescriptors",
+    "SpotMatchingLoss",
+    "hkls_for_forward_model",
+    "optimize_single_grain",
+    "evaluate_recovery",
+    "__version__",
+]