!2249 [PY] Enable get matrix of parameterized operator with given Par…

…ameterResolver

Merge pull request !2249 from donghufeng/dev/fix_subs

docs/api_python/core/operators/mindquantum.core.operators.FermionOperator.rst

@@ -126,12 +126,18 @@ mindquantum.core.operators.FermionOperator
         返回：
             FermionOperator，从字符串加载的FermionOperator。
 
-    .. py:method:: matrix(n_qubits: int = None)
+    .. py:method:: matrix(n_qubits: int = None, pr=None)
 
         将此费米子运算符转换为jordan_wigner映射下的csr_matrix。
 
         参数：
             - **n_qubits** (int) - 结果矩阵的总量子比特数。如果是None，则该值将是最大局域量子比特数。默认值： ``None``。
+            - **pr** (ParameterResolver, dict, numpy.ndarray, list, numbers.Number) - 含参费米子算符的参数。默认值： ``None``。
+
+    .. py:method:: params_name
+        :property:
+
+        获取费米子算符的所有参数。
 
     .. py:method:: normal_ordered()
 

docs/api_python/core/operators/mindquantum.core.operators.QubitOperator.rst

@@ -130,12 +130,18 @@ mindquantum.core.operators.QubitOperator
         返回：
             QubitOperator，从字符串加载的QubitOperator。
 
-    .. py:method:: matrix(n_qubits: int = None)
+    .. py:method:: matrix(n_qubits: int = None, pr=None)
 
         将此玻色子算符转换为csr_matrix。
 
         参数：
             - **n_qubits** (int) - 结果矩阵的量子比特数目。如果是None，则该值将是最大局域量子比特数。默认值： ``None``。
+            - **pr** (ParameterResolver, dict, numpy.ndarray, list, numbers.Number) - 含参玻色子算符的参数。默认值： ``None``。
+
+    .. py:method:: params_name
+        :property:
+
+        获取玻色子算符的所有参数。
 
     .. py:method:: parameterized
         :property:

mindquantum/core/operators/fermion_operator.py

@@ -31,7 +31,11 @@
 from mindquantum.dtype.dtype import str_dtype_map
 from mindquantum.mqbackend import EQ_TOLERANCE
 from mindquantum.third_party.interaction_operator import InteractionOperator
-from mindquantum.utils.type_value_check import _check_int_type, _require_package
+from mindquantum.utils.type_value_check import (
+    _check_and_generate_pr_type,
+    _check_int_type,
+    _require_package,
+)
 
 
 @lru_cache()
@@ -537,20 +541,27 @@ def hermitian(self) -> "FermionOperator":
         """
         return FermionOperator(FermionOperator_.hermitian_conjugated(self), internal=True)
 
-    def matrix(self, n_qubits: int = None):  # pylint: disable=too-many-branches
+    def matrix(self, n_qubits: int = None, pr=None):  # pylint: disable=too-many-branches
         """
         Convert this fermion operator to csr_matrix under jordan_wigner mapping.
 
         Args:
             n_qubits (int): The total qubit of final matrix. If None, the value will be
                 the maximum local qubit number. Default: None.
+            pr (ParameterResolver, dict, numpy.ndarray, list, numbers.Number): The parameter
+                resolver for parameterized FermionOperator. Default: None.
         """
-        if self.parameterized:
-            raise RuntimeError("Cannot convert a parameterized fermion operator to matrix.")
+        if pr is None:
+            pr = ParameterResolver()
+        pr = _check_and_generate_pr_type(pr, self.params_name)
         np_type = mq.to_np_type(self.dtype)
+        ops = self
+        if self.parameterized:
+            ops = copy.copy(self)
+            ops = ops.subs(pr)
         if not self.terms:
             raise ValueError("Cannot convert empty fermion operator to matrix")
-        n_qubits_local = self.count_qubits()
+        n_qubits_local = ops.count_qubits()
         if n_qubits_local == 0 and n_qubits is None:
             raise ValueError("You should specific n_qubits for converting a identity fermion operator.")
         if n_qubits is None:
@@ -561,7 +572,7 @@ def matrix(self, n_qubits: int = None):  # pylint: disable=too-many-branches
                 f"Given n_qubits {n_qubits} is small than qubit of fermion operator, which is {n_qubits_local}."
             )
         out = 0
-        for term, coeff in self.terms.items():
+        for term, coeff in ops.terms.items():
             coeff = coeff.const
             if not term:
                 out += csr_matrix(np.identity(2**n_qubits, dtype=np_type)) * coeff
@@ -583,6 +594,14 @@ def matrix(self, n_qubits: int = None):  # pylint: disable=too-many-branches
                 out += tmp * coeff
         return out
 
+    @property
+    def params_name(self):
+        """Get all parameters of this operator."""
+        names = []
+        for pr in self.terms.values():
+            names.extend([i for i in pr.params_name if i not in names])
+        return names
+
     def normal_ordered(self) -> "FermionOperator":
         """
         Return the normal ordered form of the Fermion Operator.

mindquantum/core/operators/qubit_operator.py

@@ -28,7 +28,11 @@
 from mindquantum.core.parameterresolver import ParameterResolver, PRConvertible
 from mindquantum.dtype.dtype import str_dtype_map
 from mindquantum.mqbackend import EQ_TOLERANCE
-from mindquantum.utils.type_value_check import _check_int_type, _require_package
+from mindquantum.utils.type_value_check import (
+    _check_and_generate_pr_type,
+    _check_int_type,
+    _require_package,
+)
 
 
 # pylint: disable=too-many-public-methods
@@ -495,23 +499,40 @@ def hermitian(self) -> "QubitOperator":
         """
         return QubitOperator(QubitOperator_.hermitian_conjugated(self), internal=True)
 
-    def matrix(self, n_qubits: int = None):
+    def matrix(self, n_qubits: int = None, pr=None):
         """
         Convert this qubit operator to csr_matrix.
 
         Args:
             n_qubits (int): The total qubits of final matrix. If ``None``, the value will be
                 the maximum local qubit number. Default: ``None``.
+            pr (ParameterResolver, dict, numpy.ndarray, list, numbers.Number): The parameter
+                resolver for parameterized QubitOperator. Default: None.
         """
+        if pr is None:
+            pr = ParameterResolver()
+        pr = _check_and_generate_pr_type(pr, self.params_name)
+        ops = self
+        if self.parameterized:
+            ops = copy.copy(self)
+            ops = ops.subs(pr)
         if n_qubits is None:
             n_qubits = -1
         _check_int_type('n_qubits', n_qubits)
-        csr = QubitOperator_.sparsing(self, n_qubits)
+        csr = QubitOperator_.sparsing(ops, n_qubits)
         data = np.array(csr.data, copy=False)
         indptr = np.array(csr.get_indptr(), copy=False)
         indices = np.array(csr.get_indices(), copy=False)
         return csr_matrix((data, indices, indptr), (csr.n_row, csr.n_col))
 
+    @property
+    def params_name(self):
+        """Get all parameters of this operator."""
+        names = []
+        for pr in self.terms.values():
+            names.extend([i for i in pr.params_name if i not in names])
+        return names
+
     def relabel(self, logic_qubits: typing.List[int]) -> "QubitOperator":
         """
         Relabel the qubit according to the given logic qubits order.

tests/st/test_core/test_operators/test_fermion_ops.py

@@ -18,6 +18,7 @@
 import os
 import pickle
 
+import numpy as np
 import pytest
 
 from mindquantum.core.operators import FermionOperator
@@ -244,3 +245,16 @@ def test_relabel():
     f_op = FermionOperator('3^ 2 1 0')
     f_op = f_op.relabel([1, 3, 0, 2])
     assert f_op == -FermionOperator('3 2^ 1 0')
+
+
+@pytest.mark.level0
+@pytest.mark.platform_x86_cpu
+def test_get_matrix():
+    """
+    Description: Test get matrix of fermion operator.
+    Expectation: success.
+    """
+    a = FermionOperator('0', 'a')
+    with pytest.raises(ValueError, match="Parameter a not in given parameter resolver."):
+        a.matrix()
+    assert np.allclose(a.matrix(pr={'a': 1}).toarray(), FermionOperator('0').matrix().toarray())

tests/st/test_core/test_operators/test_qubit_ops.py

@@ -266,3 +266,16 @@ def test_relabel():
     q_op = QubitOperator('Z0 Y1 X2 Z3')
     q_op = q_op.relabel([1, 3, 0, 2])
     assert q_op == QubitOperator('X0 Z1 Z2 Y3')
+
+
+@pytest.mark.level0
+@pytest.mark.platform_x86_cpu
+def test_get_matrix():
+    """
+    Description: Test get matrix of qubit operator.
+    Expectation: success.
+    """
+    a = QubitOperator('X0', 'a')
+    with pytest.raises(ValueError, match="Parameter a not in given parameter resolver."):
+        a.matrix()
+    assert np.allclose(a.matrix(pr={'a': 1}).toarray(), QubitOperator('X0').matrix().toarray())