ENH: Refactor the workflow infrastructure

docs/api.rst

@@ -6,6 +6,7 @@ Information on specific functions, classes, and methods.
 .. toctree::
    :glob:
 
+   api/sdcflows.fieldmaps
    api/sdcflows.interfaces
    api/sdcflows.models
    api/sdcflows.viz

sdcflows/conftest.py

@@ -13,6 +13,8 @@
 layouts = {p.name: BIDSLayout(str(p), validate=False, derivatives=True)
            for p in Path(test_data_env).glob('*') if p.is_dir()}
 
+data_dir = Path(__file__).parent / "tests" / "data" / "dsA"
+
 
 def pytest_report_header(config):
     msg = "Datasets found: %s" % ', '.join([v.root for v in layouts.values()])
@@ -30,6 +32,8 @@ def add_np(doctest_namespace):
     for key, val in list(layouts.items()):
         doctest_namespace[key] = Path(val.root)
 
+    doctest_namespace['testdata_dir'] = data_dir
+
 
 @pytest.fixture
 def workdir():
@@ -49,3 +53,8 @@ def bids_layouts():
 @pytest.fixture
 def datadir():
     return Path(test_data_env)
+
+
+@pytest.fixture
+def testdata_dir():
+    return data_dir

sdcflows/fieldmaps.py

@@ -0,0 +1,351 @@
+"""Utilities for fieldmap estimation."""
+from pathlib import Path
+from enum import Enum, auto
+import re
+import attr
+from json import loads
+from bids.layout import BIDSFile, parse_file_entities
+from bids.utils import listify
+from niworkflows.utils.bids import relative_to_root
+
+
+class MetadataError(ValueError):
+    """A better name for a specific value error."""
+
+
+class EstimatorType(Enum):
+    """Represents different types of fieldmap estimation approach."""
+
+    UNKNOWN = auto()
+    PEPOLAR = auto()
+    PHASEDIFF = auto()
+    MAPPED = auto()
+    ANAT = auto()
+
+
+MODALITIES = {
+    "bold": EstimatorType.PEPOLAR,
+    "dwi": EstimatorType.PEPOLAR,
+    "epi": EstimatorType.PEPOLAR,
+    "fieldmap": EstimatorType.MAPPED,
+    "magnitude": None,
+    "magnitude1": None,
+    "magnitude2": None,
+    "phase1": EstimatorType.PHASEDIFF,
+    "phase2": EstimatorType.PHASEDIFF,
+    "phasediff": EstimatorType.PHASEDIFF,
+    "sbref": EstimatorType.PEPOLAR,
+    "T1w": EstimatorType.ANAT,
+    "T2w": EstimatorType.ANAT,
+}
+
+
+def _type_setter(obj, attribute, value):
+    """Make sure the type of estimation is not changed."""
+    if obj.method == value:
+        return value
+
+    if obj.method != EstimatorType.UNKNOWN and obj.method != value:
+        raise TypeError(f"Cannot change determined method {obj.method} to {value}.")
+
+    if value not in (
+        EstimatorType.PEPOLAR,
+        EstimatorType.PHASEDIFF,
+        EstimatorType.MAPPED,
+        EstimatorType.ANAT,
+    ):
+        raise ValueError(f"Invalid estimation method type {value}.")
+
+    return value
+
+
+@attr.s(slots=True)
+class FieldmapFile:
+    """
+    Represent a file that can be used in some fieldmap estimation method.
+
+    The class will read metadata from a sidecar JSON with filename matching that
+    of the file.
+    This class may receive metadata as a keyword argument at initialization.
+
+    Examples
+    --------
+    >>> f = FieldmapFile(testdata_dir / "sub-01" / "anat" / "sub-01_T1w.nii.gz")
+    >>> f.suffix
+    'T1w'
+
+    >>> FieldmapFile(
+    ...     testdata_dir / "sub-01" / "fmap" / "sub-01_dir-LR_epi.nii.gz",
+    ...     find_meta=False
+    ... )  # doctest: +IGNORE_EXCEPTION_DETAIL
+    Traceback (most recent call last):
+    MetadataError:
+
+    >>> f = FieldmapFile(
+    ...     testdata_dir / "sub-01" / "fmap" / "sub-01_dir-LR_epi.nii.gz",
+    ... )
+    >>> f.metadata['TotalReadoutTime']
+    0.005
+
+    >>> f = FieldmapFile(
+    ...     testdata_dir / "sub-01" / "fmap" / "sub-01_dir-LR_epi.nii.gz",
+    ...     metadata={'TotalReadoutTime': 0.006}
+    ... )
+    >>> f.metadata['TotalReadoutTime']
+    0.006
+
+    >>> FieldmapFile(
+    ...     testdata_dir / "sub-01" / "fmap" / "sub-01_phasediff.nii.gz",
+    ...     find_meta=False
+    ... )  # doctest: +IGNORE_EXCEPTION_DETAIL
+    Traceback (most recent call last):
+    MetadataError:
+
+    >>> f = FieldmapFile(
+    ...     testdata_dir / "sub-01" / "fmap" / "sub-01_phasediff.nii.gz"
+    ... )
+    >>> f.metadata['EchoTime2']
+    0.00746
+
+    >>> FieldmapFile(
+    ...     testdata_dir / "sub-01" / "fmap" / "sub-01_phase2.nii.gz",
+    ...     find_meta=False
+    ... )  # doctest: +IGNORE_EXCEPTION_DETAIL
+    Traceback (most recent call last):
+    MetadataError:
+
+    >>> f = FieldmapFile(
+    ...     testdata_dir / "sub-01" / "fmap" / "sub-01_phase2.nii.gz"
+    ... )
+    >>> f.metadata['EchoTime']
+    0.00746
+
+    >>> FieldmapFile(
+    ...     testdata_dir / "sub-01" / "fmap" / "sub-01_fieldmap.nii.gz",
+    ...     find_meta=False
+    ... )  # doctest: +IGNORE_EXCEPTION_DETAIL
+    Traceback (most recent call last):
+    MetadataError:
+
+    >>> f = FieldmapFile(
+    ...     testdata_dir / "sub-01" / "fmap" / "sub-01_fieldmap.nii.gz"
+    ... )
+    >>> f.metadata['Units']
+    'rad/s'
+
+    """
+
+    path = attr.ib(converter=Path, repr=str, on_setattr=attr.setters.NO_OP)
+    """Path to a fieldmap file."""
+
+    entities = attr.ib(init=False, repr=False)
+    """BIDS entities extracted from filepath."""
+
+    suffix = attr.ib(init=False, repr=False)
+    """Extracted suffix from input file."""
+
+    bids_root = attr.ib(init=False, default=None, repr=False)
+    """Path of the BIDS root."""
+
+    metadata = attr.ib(kw_only=True, default=attr.Factory(dict))
+    """
+    Metadata associated to this file. When provided as keyword argument in initialization,
+    will overwrite metadata read from sidecar JSON.
+    """
+
+    find_meta = attr.ib(kw_only=True, default=True, type=bool, repr=False)
+    """Enable/disable automated search for corresponding metadata."""
+
+    @path.validator
+    def check_path(self, attribute, value):
+        """Validate a fieldmap path."""
+        if isinstance(value, BIDSFile):
+            value = Path(value.path)
+        elif isinstance(value, str):
+            value = Path(value)
+
+        if not value.is_file():
+            raise FileNotFoundError(
+                f"File path <{value}> does not exist, is a broken link, or it is not a file"
+            )
+
+        if not str(value).endswith((".nii", ".nii.gz")):
+            raise ValueError(f"File path <{value}> does not look like a NIfTI file.")
+
+        suffix = re.search(r"(?<=_)\w+(?=\.nii)", value.name).group()
+        if suffix not in tuple(MODALITIES.keys()):
+            raise ValueError(
+                f"File path <{value}> with suffix <{suffix}> is not a valid "
+                "fieldmap sourcefile."
+            )
+
+    def __attrs_post_init__(self):
+        """Validate metadata and additional checks."""
+        self.entities = parse_file_entities(str(self.path))
+        self.suffix = self.entities.pop("suffix")
+        extension = self.entities.pop("extension").lstrip(".")
+
+        # Automatically fill metadata in when possible
+        # TODO: implement BIDS hierarchy of metadata
+        if self.find_meta:
+            sidecar = Path(str(self.path).replace(extension, "json"))
+            if sidecar.is_file():
+                _meta = self.metadata or {}
+                self.metadata = loads(sidecar.read_text())
+                self.metadata.update(_meta)
+
+        # Attempt to infer a bids_root folder
+        relative_path = relative_to_root(self.path)
+        if str(relative_path) != str(self.path):
+            self.bids_root = Path(str(self.path)[: -len(str(relative_path))])
+
+        # Check for REQUIRED metadata (depends on suffix.)
+        if self.suffix in ("bold", "dwi", "epi", "sbref"):
+            if "PhaseEncodingDirection" not in self.metadata:
+                raise MetadataError(
+                    f"Missing 'PhaseEncodingDirection' for <{self.path}>."
+                )
+            if not (
+                set(("TotalReadoutTime", "EffectiveEchoSpacing")).intersection(
+                    self.metadata.keys()
+                )
+            ):
+                raise MetadataError(
+                    f"Missing readout timing information for <{self.path}>."
+                )
+
+        elif self.suffix == "fieldmap" and "Units" not in self.metadata:
+            raise MetadataError(f"Missing 'Units' for <{self.path}>.")
+
+        elif self.suffix == "phasediff" and (
+            "EchoTime1" not in self.metadata or "EchoTime2" not in self.metadata
+        ):
+            raise MetadataError(
+                f"Missing 'EchoTime1' and/or 'EchoTime2' for <{self.path}>."
+            )
+
+        elif self.suffix in ("phase1", "phase2") and ("EchoTime" not in self.metadata):
+            raise MetadataError(f"Missing 'EchoTime' for <{self.path}>.")
+
+
+@attr.s(slots=True)
+class FieldmapEstimation:
+    """
+    Represent fieldmap estimation strategies.
+
+    This class provides a consistent interface to all types of fieldmap estimation
+    strategies.
+    The actual type of method for estimation is inferred from the ``sources`` input,
+    and collects all the available metadata.
+
+    """
+
+    sources = attr.ib(
+        default=None,
+        converter=lambda v: [
+            FieldmapFile(f) if not isinstance(f, FieldmapFile) else f
+            for f in listify(v)
+        ],
+        repr=lambda v: f"<{len(v)} files>",
+    )
+    """File path or list of paths indicating the source data to estimate a fieldmap."""
+
+    method = attr.ib(init=False, default=EstimatorType.UNKNOWN, on_setattr=_type_setter)
+    """Flag indicating the estimator type inferred from the input sources."""
+
+    def __attrs_post_init__(self):
+        """Determine the inteded fieldmap estimation type and check for data completeness."""
+        suffix_list = [f.suffix for f in self.sources]
+        suffix_set = set(suffix_list)
+
+        # Fieldmap option 1: actual field-mapping sequences
+        fmap_types = suffix_set.intersection(
+            ("fieldmap", "phasediff", "phase1", "phase2")
+        )
+        if len(fmap_types) > 1 and fmap_types - set(("phase1", "phase2")):
+            raise TypeError(f"Incompatible suffices found: <{','.join(fmap_types)}>.")
+
+        if fmap_types:
+            sources = sorted(
+                str(f.path)
+                for f in self.sources
+                if f.suffix in ("fieldmap", "phasediff", "phase1", "phase2")
+            )
+
+            # Automagically add the corresponding phase2 file if missing as argument
+            missing_phases = ("phase1" not in fmap_types, "phase2" not in fmap_types)
+            if sum(missing_phases) == 1:
+                mis_ph = "phase1" if missing_phases[0] else "phase2"
+                hit_ph = "phase2" if missing_phases[0] else "phase1"
+                new_source = sources[0].replace(hit_ph, mis_ph)
+                self.sources.append(FieldmapFile(new_source))
+                sources.insert(int(missing_phases[1]), new_source)
+
+            # Set method, this cannot be undone
+            self.method = MODALITIES[fmap_types.pop()]
+
+            # Determine the name of the corresponding (first) magnitude file(s)
+            magnitude = f"magnitude{'' if self.method == EstimatorType.MAPPED else '1'}"
+            if magnitude not in suffix_set:
+                try:
+                    self.sources.append(
+                        FieldmapFile(
+                            sources[0]
+                            .replace("fieldmap", "magnitude")
+                            .replace("diff", "1")
+                            .replace("phase", "magnitude")
+                        )
+                    )
+                except Exception:
+                    raise ValueError(
+                        "A fieldmap or phase-difference estimation type was found, "
+                        f"but an anatomical reference ({magnitude} file) is missing."
+                    )
+
+            # Check presence and try to find (if necessary) the second magnitude file
+            if (
+                self.method == EstimatorType.PHASEDIFF
+                and "magnitude2" not in suffix_set
+            ):
+                try:
+                    self.sources.append(
+                        FieldmapFile(
+                            sources[-1]
+                            .replace("diff", "2")
+                            .replace("phase", "magnitude")
+                        )
+                    )
+                except Exception:
+                    if "phase2" in suffix_set:
+                        raise ValueError(
+                            "A phase-difference estimation (phase1/2) type was found, "
+                            "but an anatomical reference (magnitude2 file) is missing."
+                        )
+
+        # Fieldmap option 2: PEPOLAR (and fieldmap-less or ANAT)
+        # IMPORTANT NOTE: fieldmap-less approaches can be considered PEPOLAR with RO = 0.0s
+        pepolar_types = suffix_set.intersection(("bold", "dwi", "epi", "sbref"))
+        _pepolar_estimation = (
+            len([f for f in suffix_list if f in ("bold", "dwi", "epi", "sbref")]) > 1
+        )
+
+        if _pepolar_estimation:
+            self.method = MODALITIES[pepolar_types.pop()]
+            _pe = set(f.metadata["PhaseEncodingDirection"] for f in self.sources)
+            if len(_pe) == 1:
+                raise ValueError(
+                    f"Only one phase-encoding direction <{_pe.pop()}> found across sources."
+                )
+
+        anat_types = suffix_set.intersection(("T1w", "T2w"))
+        if anat_types:
+            self.method = MODALITIES[anat_types.pop()]
+
+            if not pepolar_types:
+                raise ValueError(
+                    "Only anatomical sources were found, cannot estimate fieldmap."
+                )
+
+        # No method has been identified -> fail.
+        if self.method == EstimatorType.UNKNOWN:
+            raise ValueError("Insufficient sources to estimate a fieldmap.")

sdcflows/tests/data/dsA/sub-01/dwi/sub-01_dir-AP_sbref.json

@@ -0,0 +1,4 @@
+{
+    "PhaseEncodingDirection": "j-",
+    "TotalReadoutTime": 0.005
+}

sdcflows/tests/data/dsA/sub-01/dwi/sub-01_dir-LR_sbref.json

@@ -0,0 +1,4 @@
+{
+    "PhaseEncodingDirection": "i",
+    "TotalReadoutTime": 0.005
+}