implement

ptychodus/api/patterns.py

@@ -13,6 +13,7 @@
 from .observer import Observable
 from .tree import SimpleTreeNode
 
+BooleanArrayType: TypeAlias = numpy.typing.NDArray[numpy.bool_]
 DiffractionPatternArrayType: TypeAlias = numpy.typing.NDArray[numpy.integer[Any]]
 DiffractionPatternIndexes: TypeAlias = numpy.typing.NDArray[numpy.integer[Any]]
 

ptychodus/api/product.py

@@ -4,6 +4,7 @@
 from pathlib import Path
 from sys import getsizeof
 
+from .constants import ELECTRON_VOLT_J, LIGHT_SPEED_M_PER_S, PLANCK_CONSTANT_J_PER_HZ
 from .object import Object
 from .probe import Probe
 from .scan import Scan
@@ -18,6 +19,19 @@ class ProductMetadata:
     probePhotonsPerSecond: float
     exposureTimeInSeconds: float
 
+    @property
+    def probeEnergyInJoules(self) -> float:
+        return self.probeEnergyInElectronVolts * ELECTRON_VOLT_J
+
+    @property
+    def probeWavelengthInMeters(self) -> float:
+        hc_Jm = PLANCK_CONSTANT_J_PER_HZ * LIGHT_SPEED_M_PER_S
+
+        try:
+            return hc_Jm / self.probeEnergyInJoules
+        except ZeroDivisionError:
+            return 0.0
+
     @property
     def sizeInBytes(self) -> int:
         sz = getsizeof(self.name)

ptychodus/api/reconstructor.py

@@ -5,12 +5,13 @@
 from pathlib import Path
 
 from .product import Product
-from .patterns import DiffractionPatternArrayType
+from .patterns import BooleanArrayType, DiffractionPatternArrayType
 
 
 @dataclass(frozen=True)
 class ReconstructInput:
     patterns: DiffractionPatternArrayType
+    goodPixelMask: BooleanArrayType
     product: Product
 
 

ptychodus/model/analysis/core.py

@@ -49,7 +49,7 @@ def __init__(
         self._fluorescenceSettings = FluorescenceSettings(settingsRegistry)
         self.fluorescenceEnhancer = FluorescenceEnhancer(
             self._fluorescenceSettings,
-            dataMatcher,
+            productRepository,
             upscalingStrategyChooser,
             deconvolutionStrategyChooser,
             fluorescenceFileReaderChooser,

ptychodus/model/analysis/fluorescence.py

@@ -22,7 +22,7 @@
 from ptychodus.api.product import Product
 from ptychodus.api.typing import RealArrayType
 
-from ..reconstructor import DiffractionPatternPositionMatcher
+from ..product import ProductRepository
 from .settings import FluorescenceSettings
 
 logger = logging.getLogger(__name__)
@@ -63,19 +63,19 @@ def get_axis_weights_and_indexes(
 
 
 class VSPILinearOperator(LinearOperator):
-    def __init__(self, product: Product, xrf_nchannels: int) -> None:
+    def __init__(self, product: Product) -> None:
         """
         M: number of XRF positions
         N: number of ptychography object pixels
         P: number of XRF channels
 
         A[M,N] * X[N,P] = B[M,P]
         """
-        super().__init__(float, (len(product.scan), xrf_nchannels))
+        super().__init__(float, (len(product.scan), len(product.scan)))
         self._product = product
 
-    def matmat(self, X: RealArrayType) -> RealArrayType:
-        AX = numpy.zeros(self.shape, dtype=self.dtype)
+    def _matvec(self, X: RealArrayType) -> RealArrayType:
+        AX = numpy.zeros(X.shape, dtype=self.dtype)
 
         probeGeometry = self._product.probe.getGeometry()
         dx_p_m = probeGeometry.pixelWidthInMeters
@@ -103,7 +103,7 @@ def matmat(self, X: RealArrayType) -> RealArrayType:
             i_nz = numpy.ravel_multi_index(list(zip(IY.flat, IX.flat)), objectShape)
             X_nz = X.take(i_nz, axis=0)
 
-            AX[index, :] = numpy.matmul(numpy.outer(wy, wx).ravel(), X_nz)
+            AX[index] = numpy.matmul(numpy.outer(wy, wx).ravel(), X_nz)
 
         return AX
 
@@ -115,7 +115,7 @@ class FluorescenceEnhancer(Observable, Observer):
     def __init__(
         self,
         settings: FluorescenceSettings,
-        dataMatcher: DiffractionPatternPositionMatcher,  # FIXME match XRF too
+        productRepository: ProductRepository,
         upscalingStrategyChooser: PluginChooser[UpscalingStrategy],
         deconvolutionStrategyChooser: PluginChooser[DeconvolutionStrategy],
         fileReaderChooser: PluginChooser[FluorescenceFileReader],
@@ -124,7 +124,7 @@ def __init__(
     ) -> None:
         super().__init__()
         self._settings = settings
-        self._dataMatcher = dataMatcher
+        self._productRepository = productRepository
         self._upscalingStrategyChooser = upscalingStrategyChooser
         self._deconvolutionStrategyChooser = deconvolutionStrategyChooser
         self._fileReaderChooser = fileReaderChooser
@@ -152,7 +152,7 @@ def setProduct(self, productIndex: int) -> None:
             self.notifyObservers()
 
     def getProductName(self) -> str:
-        return self._dataMatcher.getProductName(self._productIndex)
+        return self._productRepository[self._productIndex].getName()
 
     def getOpenFileFilterList(self) -> Sequence[str]:
         return self._fileReaderChooser.getDisplayNameList()
@@ -222,14 +222,12 @@ def enhanceFluorescence(self) -> None:
         if self._measured is None:
             raise ValueError('Fluorescence dataset not loaded!')
 
-        reconstructInput = self._dataMatcher.matchDiffractionPatternsWithPositions(
-            self._productIndex
-        )
+        product = self._productRepository[self._productIndex].getProduct()
         element_maps: list[ElementMap] = list()
 
         if self._settings.useVSPI.getValue():
             measured_emaps = self._measured.element_maps
-            A = VSPILinearOperator(reconstructInput.product, len(measured_emaps))
+            A = VSPILinearOperator(product)
             B = numpy.stack([b.counts_per_second.flatten() for b in measured_emaps]).T
             X, info = gmres(A, B, atol=1e-5)  # TODO expose atol
 
@@ -246,8 +244,8 @@ def enhanceFluorescence(self) -> None:
 
             for emap in self._measured.element_maps:
                 logger.info(f'Enhancing "{emap.name}"')
-                emap_upscaled = upscaler(emap, reconstructInput.product)
-                emap_enhanced = deconvolver(emap_upscaled, reconstructInput.product)
+                emap_upscaled = upscaler(emap, product)
+                emap_enhanced = deconvolver(emap_upscaled, product)
                 element_maps.append(emap_enhanced)
 
         self._enhanced = FluorescenceDataset(
@@ -258,7 +256,7 @@ def enhanceFluorescence(self) -> None:
         self.notifyObservers()
 
     def getPixelGeometry(self) -> PixelGeometry:
-        return self._dataMatcher.getObjectPlanePixelGeometry(self._productIndex)
+        return self._productRepository[self._productIndex].getGeometry().getPixelGeometry()
 
     def getEnhancedElementMap(self, channelIndex: int) -> ElementMap:
         if self._enhanced is None:

ptychodus/model/patterns/active.py

@@ -10,6 +10,7 @@
 
 from ptychodus.api.geometry import ImageExtent
 from ptychodus.api.patterns import (
+    BooleanArrayType,
     DiffractionDataset,
     DiffractionMetadata,
     DiffractionPatternArray,
@@ -141,6 +142,15 @@ def insertArray(self, array: DiffractionPatternArray) -> None:
 
         self._changedEvent.set()
 
+    def getGoodPixelMask(self) -> BooleanArrayType:  # FIXME
+        return numpy.full(
+            (
+                self._diffractionPatternSizer.getHeightInPixels(),
+                self._diffractionPatternSizer.getWidthInPixels(),
+            ),
+            True,
+        )
+
     def getAssembledIndexes(self) -> Sequence[int]:
         indexes: list[int] = list()
 

ptychodus/model/product/api.py

@@ -112,7 +112,7 @@ def copyScan(self, sourceIndex: int, destinationIndex: int) -> None:
             logger.warning(f'Failed to access destination scan {destinationIndex} for copying!')
             return
 
-        destinationItem.assign(sourceItem)
+        destinationItem.assignItem(sourceItem)
 
     def getSaveFileFilterList(self) -> Sequence[str]:
         return self._builderFactory.getSaveFileFilterList()
@@ -220,7 +220,7 @@ def copyProbe(self, sourceIndex: int, destinationIndex: int) -> None:
             logger.warning(f'Failed to access destination probe {destinationIndex} for copying!')
             return
 
-        destinationItem.assign(sourceItem)
+        destinationItem.assignItem(sourceItem)
 
     def getSaveFileFilterList(self) -> Sequence[str]:
         return self._builderFactory.getSaveFileFilterList()
@@ -328,7 +328,7 @@ def copyObject(self, sourceIndex: int, destinationIndex: int) -> None:
             logger.warning(f'Failed to access destination object {destinationIndex} for copying!')
             return
 
-        destinationItem.assign(sourceItem)
+        destinationItem.assignItem(sourceItem)
 
     def getSaveFileFilterList(self) -> Sequence[str]:
         return self._builderFactory.getSaveFileFilterList()
@@ -370,7 +370,7 @@ def insertNewProduct(
         likeIndex: int = -1,
     ) -> int:
         return self._repository.insertNewProduct(
-            name,
+            name=name,
             comments=comments,
             detectorDistanceInMeters=detectorDistanceInMeters,
             probeEnergyInElectronVolts=probeEnergyInElectronVolts,

ptychodus/model/product/item.py

@@ -66,6 +66,24 @@ def __init__(
         self._addGroup('probe', self._probe, observe=True)
         self._addGroup('object', self._object, observe=True)
 
+    def assignItem(self, item: ProductRepositoryItem, *, notify: bool = True) -> None:
+        self._metadata.assignItem(item.getMetadata())
+        self._scan.assignItem(item.getScan())
+        self._probe.assignItem(item.getProbe())
+        self._object.assignItem(item.getObject())
+        self._costs = list(item.getCosts())
+
+        if notify:
+            self._parent.handleCostsChanged(self)
+
+    def assign(self, product: Product) -> None:
+        self._metadata.assign(product.metadata)
+        self._scan.assign(product.scan)
+        self._probe.assign(product.probe)
+        self._object.assign(product.object_)
+        self._costs = list(product.costs)
+        self._parent.handleCostsChanged(self)
+
     def syncToSettings(self) -> None:
         self._metadata.syncToSettings()
         self._scan.syncToSettings()

ptychodus/model/product/metadata.py

@@ -68,14 +68,22 @@ def __init__(
 
         self._index = -1
 
-    def assign(self, item: MetadataRepositoryItem) -> None:
+    def assignItem(self, item: MetadataRepositoryItem, *, notify: bool = True) -> None:
         self.setName(item.getName())
         self.comments.setValue(item.comments.getValue())
         self.detectorDistanceInMeters.setValue(item.detectorDistanceInMeters.getValue())
         self.probeEnergyInElectronVolts.setValue(item.probeEnergyInElectronVolts.getValue())
         self.probePhotonsPerSecond.setValue(item.probePhotonsPerSecond.getValue())
         self.exposureTimeInSeconds.setValue(item.exposureTimeInSeconds.getValue())
 
+    def assign(self, metadata: ProductMetadata) -> None:
+        self.setName(metadata.name)
+        self.comments.setValue(metadata.comments)
+        self.detectorDistanceInMeters.setValue(metadata.detectorDistanceInMeters)
+        self.probeEnergyInElectronVolts.setValue(metadata.probeEnergyInElectronVolts)
+        self.probePhotonsPerSecond.setValue(metadata.probePhotonsPerSecond)
+        self.exposureTimeInSeconds.setValue(metadata.exposureTimeInSeconds)
+
     def syncToSettings(self) -> None:
         for parameter in self.parameters().values():
             parameter.syncValueToParent()

ptychodus/model/product/object/builder.py

@@ -63,8 +63,10 @@ def __init__(
         super().__init__(settings, 'from_file')
         self._settings = settings
         self.filePath = settings.filePath.copy()
+        self.filePath.setValue(filePath)
         self._addParameter('file_path', self.filePath)
         self.fileType = settings.fileType.copy()
+        self.fileType.setValue(fileType)
         self._addParameter('file_type', self.fileType)
         self._fileReader = fileReader
 

ptychodus/model/product/object/item.py

@@ -7,7 +7,7 @@
 from ptychodus.api.observer import Observable
 from ptychodus.api.parametric import ParameterGroup
 
-from .builder import ObjectBuilder
+from .builder import FromMemoryObjectBuilder, ObjectBuilder
 from .settings import ObjectSettings
 
 logger = logging.getLogger(__name__)
@@ -32,10 +32,14 @@ def __init__(
 
         self._rebuild()
 
-    def assign(self, item: ObjectRepositoryItem) -> None:
+    def assignItem(self, item: ObjectRepositoryItem) -> None:
         self.layerDistanceInMeters.setValue(item.layerDistanceInMeters.getValue(), notify=False)
         self.setBuilder(item.getBuilder().copy())
 
+    def assign(self, object_: Object) -> None:
+        builder = FromMemoryObjectBuilder(self._settings, object_)
+        self.setBuilder(builder)
+
     def syncToSettings(self) -> None:
         for parameter in self.parameters().values():
             parameter.syncValueToParent()

ptychodus/model/product/probe/builder.py

@@ -91,8 +91,10 @@ def __init__(
         super().__init__(settings, 'from_file')
         self._settings = settings
         self.filePath = settings.filePath.copy()
+        self.filePath.setValue(filePath)
         self._addParameter('file_path', self.filePath)
         self.fileType = settings.fileType.copy()
+        self.fileType.setValue(fileType)
         self._addParameter('file_type', self.fileType)
         self._fileReader = fileReader
 

ptychodus/model/product/probe/item.py

@@ -5,8 +5,9 @@
 from ptychodus.api.parametric import ParameterGroup
 from ptychodus.api.probe import Probe, ProbeGeometryProvider
 
-from .builder import ProbeBuilder
+from .builder import FromMemoryProbeBuilder, ProbeBuilder
 from .multimodal import MultimodalProbeBuilder
+from .settings import ProbeSettings
 
 logger = logging.getLogger(__name__)
 
@@ -15,11 +16,13 @@ class ProbeRepositoryItem(ParameterGroup):
     def __init__(
         self,
         geometryProvider: ProbeGeometryProvider,
+        settings: ProbeSettings,
         builder: ProbeBuilder,
         additionalModesBuilder: MultimodalProbeBuilder,
     ) -> None:
         super().__init__()
         self._geometryProvider = geometryProvider
+        self._settings = settings
         self._builder = builder
         self._additionalModesBuilder = additionalModesBuilder
         self._probe = Probe()
@@ -29,14 +32,19 @@ def __init__(
 
         self._rebuild()
 
-    def assign(self, item: ProbeRepositoryItem) -> None:
+    def assignItem(self, item: ProbeRepositoryItem) -> None:
         self._removeGroup('additional_modes')
         self._additionalModesBuilder.removeObserver(self)
         self._additionalModesBuilder = item.getAdditionalModesBuilder().copy()
         self._additionalModesBuilder.addObserver(self)
         self._addGroup('additional_modes', self._additionalModesBuilder, observe=True)
 
         self.setBuilder(item.getBuilder().copy())
+        self._rebuild()
+
+    def assign(self, probe: Probe) -> None:
+        builder = FromMemoryProbeBuilder(self._settings, probe)
+        self.setBuilder(builder)
 
     def syncToSettings(self) -> None:
         for parameter in self.parameters().values():
@@ -57,7 +65,6 @@ def setBuilder(self, builder: ProbeBuilder) -> None:
         self._builder = builder
         self._builder.addObserver(self)
         self._addGroup('builder', self._builder, observe=True)
-        self._rebuild()
 
     def _rebuild(self) -> None:
         try:

ptychodus/model/product/probe/itemFactory.py

@@ -33,7 +33,7 @@ def create(
             else FromMemoryProbeBuilder(self._settings, probe)
         )
         multimodalBuilder = MultimodalProbeBuilder(self._rng, self._settings)
-        return ProbeRepositoryItem(geometryProvider, builder, multimodalBuilder)
+        return ProbeRepositoryItem(geometryProvider, self._settings, builder, multimodalBuilder)
 
     def createFromSettings(self, geometryProvider: ProbeGeometryProvider) -> ProbeRepositoryItem:
         try:
@@ -43,4 +43,4 @@ def createFromSettings(self, geometryProvider: ProbeGeometryProvider) -> ProbeRe
             builder = self._builderFactory.createDefault()
 
         multimodalBuilder = MultimodalProbeBuilder(self._rng, self._settings)
-        return ProbeRepositoryItem(geometryProvider, builder, multimodalBuilder)
+        return ProbeRepositoryItem(geometryProvider, self._settings, builder, multimodalBuilder)

ptychodus/model/product/probe/multimodal.py

@@ -119,6 +119,8 @@ def _adjustRelativePower(self, probe: WavefieldArrayType) -> WavefieldArrayType:
     def build(self, probe: Probe) -> Probe:
         if self.numberOfModes.getValue() <= 1:
             return probe
+        elif self.numberOfModes.getValue() == probe.numberOfModes:
+            return probe
 
         array = self._initializeModes(probe.array)