Einsum handling for complex conjugation

nifty6/operators/einsum.py

@@ -12,7 +12,7 @@
 # along with this program.  If not, see <http://www.gnu.org/licenses/>.
 #
 # Copyright(C) 2013-2019 Max-Planck-Society
-# Authors: Gordian Edenhofer
+# Authors: Gordian Edenhofer, Philipp Frank
 #
 # NIFTy is being developed at the Max-Planck-Institut fuer Astrophysik.
 
@@ -28,9 +28,7 @@ from .linear_operator import LinearOperator
 
 
 class MultiLinearEinsum(Operator):
-    """Multi-linear Einsum operator with corresponding derivates
-
-    FIXME: This operator does not perform any complex conjugation!
+    """Multi-linear Einsum operator with corresponding derivates.
 
     Parameters
     ----------
@@ -48,6 +46,13 @@ class MultiLinearEinsum(Operator):
         Linearization.
     optimize: bool, String or List, optional
         Parameter passed on to einsum_path.
+
+    Notes
+    -----
+    By convention :class:`MultiLinearEinsum` only performs operations with
+    lower indices. Therefore no complex conjugation is performed on complex
+    Inputs. To achieve operations with upper/lower indices use
+    :class:`PartialConjugate` before applying this operator.
     """
     def __init__(self, domain, subscripts,
                  key_order=None, static_mf=None, optimize='optimal'):
@@ -159,7 +164,6 @@ class MultiLinearEinsum(Operator):
 class LinearEinsum(LinearOperator):
     """Linear Einsum operator with exactly one freely varying field
 
-    FIXME: This operator does not perform any complex conjugation!
 
     Parameters
     ----------
@@ -259,11 +263,11 @@ class LinearEinsum(LinearOperator):
     def apply(self, x, mode):
         self._check_input(x, mode)
         if mode == self.TIMES:
-            dom, ss = self.target, self._sscr
+            dom, ss, mf = self.target, self._sscr, self._mf
         else:
-            dom, ss = self.domain, self._adj_sscr
+            dom, ss, mf = self.domain, self._adj_sscr, self._mf.conjugate()
         res = np.einsum(
-            ss, *(self._mf.val[k] for k in self._key_order), x.val,
+            ss, *(mf[k].val for k in self._key_order), x.val,
             **self._ein_kw
         )
         return Field.from_raw(dom, res)

nifty6/operators/partial_conjugate.py

+# This program is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+#
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU General Public License for more details.
+#
+# You should have received a copy of the GNU General Public License
+# along with this program.  If not, see <http://www.gnu.org/licenses/>.
+#
+# Copyright(C) 2013-2019 Max-Planck-Society
+# Authors: Philipp Frank
+#
+# NIFTy is being developed at the Max-Planck-Institut fuer Astrophysik.
+
+from .endomorphic_operator import EndomorphicOperator
+from ..multi_domain import MultiDomain
+from ..multi_field import MultiField
+
+class PartialConjugate(EndomorphicOperator):
+    """Perform partial conjugation of a :class:`MultiField`
+
+    Parameters
+    ----------
+    domain : MultiDomain
+        The operator's input domain and output target
+    conjugation_keys : iterable of string
+        The keys of the :class:`MultiField` for which complex conjugation
+        should be performed.
+    """
+    def __init__(self, domain, conjugation_keys):
+        if not isinstance(domain, MultiDomain):
+            raise ValueError("MultiDomain expected!")
+        indom = (key in domain.keys() for key in conjugation_keys)
+        if sum(indom) != len(conjugation_keys):
+            raise ValueError("conjugation_keys not in domain!")
+        self._domain = domain
+        self._conjugation_keys = conjugation_keys
+        self._capabilities = self._all_ops
+
+    def apply(self, x, mode):
+        self._check_input(x, mode)
+        x = x.to_dict()
+        for k in self._conjugation_keys:
+            x[k] = x[k].conjugate()
+        return MultiField.from_dict(x, self._domain)

test/test_operators/test_einsum.py

@@ -12,12 +12,13 @@
 # along with this program.  If not, see <http://www.gnu.org/licenses/>.
 #
 # Copyright(C) 2013-2019 Max-Planck-Society
-# Authors: Gordian Edenhofer
+# Authors: Gordian Edenhofer, Philipp Frank
 #
 # NIFTy is being developed at the Max-Planck-Institut fuer Astrophysik.
 
 import pytest
 from numpy.testing import assert_allclose
+import numpy as np
 from nifty6.extra import check_jacobian_consistency, consistency_check
 
 import nifty6 as ift
@@ -27,14 +28,14 @@ pmp = pytest.mark.parametrize
 spaces = (ift.UnstructuredDomain(4),
           ift.RGSpace((3,2)),
           ift.LMSpace(5),
-          ift.HPSpace(4),
           ift.GLSpace(4))
 
 space1 = list2fixture(spaces)
 space2 = list2fixture(spaces)
+dtype = list2fixture([np.float64, np.complex128])
 
 
-def test_linear_einsum_outer(space1, space2, n_invocations=10):
+def test_linear_einsum_outer(space1, space2, dtype, n_invocations=10):
     setup_function()
 
     mf_dom = ift.MultiDomain.make(
@@ -46,11 +47,11 @@ def test_linear_einsum_outer(space1, space2, n_invocations=10):
                 )
         }
     )
-    mf = ift.from_random("normal", mf_dom)
+    mf = ift.from_random("normal", mf_dom, dtype=dtype)
     ss = "i,ij,j->ij"
     key_order = ("dom01", "dom02")
     le = ift.LinearEinsum(space2, mf, ss, key_order=key_order)
-    assert consistency_check(le) is None
+    assert consistency_check(le, domain_dtype=dtype,target_dtype=dtype) is None
 
     le_ift = ift.DiagonalOperator(
         mf["dom01"], domain=mf_dom["dom02"], spaces=0
@@ -59,15 +60,15 @@ def test_linear_einsum_outer(space1, space2, n_invocations=10):
     )
 
     for _ in range(n_invocations):
-        r = ift.from_random("normal", le.domain)
+        r = ift.from_random("normal", le.domain, dtype=dtype)
         assert_allclose(le(r).val, le_ift(r).val)
-        r_adj = ift.from_random("normal", le.target)
+        r_adj = ift.from_random("normal", le.target, dtype=dtype)
         assert_allclose(le.adjoint(r_adj).val, le_ift.adjoint(r_adj).val)
 
     teardown_function()
 
 
-def test_linear_einsum_contraction(space1, space2, n_invocations=10):
+def test_linear_einsum_contraction(space1, space2, dtype, n_invocations=10):
     setup_function()
 
     mf_dom = ift.MultiDomain.make(
@@ -79,11 +80,11 @@ def test_linear_einsum_contraction(space1, space2, n_invocations=10):
                 )
         }
     )
-    mf = ift.from_random("normal", mf_dom)
+    mf = ift.from_random("normal", mf_dom, dtype=dtype)
     ss = "i,ij,j->i"
     key_order = ("dom01", "dom02")
     le = ift.LinearEinsum(space2, mf, ss, key_order=key_order)
-    assert consistency_check(le) is None
+    assert consistency_check(le, domain_dtype=dtype,target_dtype=dtype) is None
 
     le_ift = ift.ContractionOperator(mf_dom["dom02"], 1) @ ift.DiagonalOperator(
         mf["dom01"], domain=mf_dom["dom02"], spaces=0
@@ -92,16 +93,16 @@ def test_linear_einsum_contraction(space1, space2, n_invocations=10):
     )
 
     for _ in range(n_invocations):
-        r = ift.from_random("normal", le.domain)
+        r = ift.from_random("normal", le.domain, dtype=dtype)
         assert_allclose(le(r).val, le_ift(r).val)
-        r_adj = ift.from_random("normal", le.target)
+        r_adj = ift.from_random("normal", le.target, dtype=dtype)
         assert_allclose(le.adjoint(r_adj).val, le_ift.adjoint(r_adj).val)
 
     teardown_function()
 
 
 def test_multi_linear_einsum_outer(
-    space1, space2, n_invocations=10, ntries=100
+    space1, space2, dtype, n_invocations=10, ntries=100
 ):
     setup_function()
 
@@ -116,7 +117,7 @@ def test_multi_linear_einsum_outer(
     key_order = ("dom01", "dom02", "dom03")
     mle = ift.MultiLinearEinsum(mf_dom, ss, key_order=key_order)
     check_jacobian_consistency(
-        mle, ift.from_random("normal", mle.domain), ntries=ntries
+        mle, ift.from_random("normal", mle.domain, dtype=dtype), ntries=ntries
     )
 
     outer_i = ift.OuterProduct(
@@ -133,12 +134,13 @@ def test_multi_linear_einsum_outer(
     ) * (outer_j @ ift.FieldAdapter(mf_dom["dom03"], "dom03"))
 
     for _ in range(n_invocations):
-        rl = ift.Linearization.make_var(ift.from_random("normal", mle.domain))
+        rl = ift.Linearization.make_var(
+                ift.from_random("normal", mle.domain, dtype=dtype))
         mle_rl, mle_ift_rl = mle(rl), mle_ift(rl)
         assert_allclose(mle_rl.val.val, mle_ift_rl.val.val)
         assert_allclose(mle_rl.jac(rl.val).val, mle_ift_rl.jac(rl.val).val)
 
-        rj_adj = ift.from_random("normal", mle_rl.jac.target)
+        rj_adj = ift.from_random("normal", mle_rl.jac.target, dtype=dtype)
         mle_j_val = mle_rl.jac.adjoint(rj_adj).val
         mle_ift_j_val = mle_ift_rl.jac.adjoint(rj_adj).val
         for k in mle_ift.domain.keys():