Work on Open Quantum System State Vector started

quantarhei/__init__.py

@@ -306,9 +306,13 @@
 
 
 #
-# Operators
+# State vectors
 #
 from .qm import StateVector
+from .qm import OQSStateVector
+#
+# Operators
+#
 from .qm import DensityMatrix
 from .qm import ReducedDensityMatrix
 from .qm import BasisReferenceOperator

quantarhei/qm/__init__.py

@@ -4,6 +4,7 @@
 #   HILBERT SPACE STATES
 #
 from .hilbertspace.statevector import StateVector
+from .hilbertspace.oqsstatevector import OQSStateVector
 
 #
 #   LIOUVILLE SPACE STATES

quantarhei/qm/hilbertspace/oqsstatevector.py

@@ -0,0 +1,81 @@
+# -*- coding: utf-8 -*-
+"""
+    
+    State vector of the open quantum system
+
+
+"""
+import numpy
+
+from ... import REAL, COMPLEX
+
+class OQSStateVector():
+    """Represents a quantum mechanical state of an open system 
+    
+    In this representation we keep state vector coefficients separate
+    from the state of the bath representation.
+
+
+    Parameters
+    ----------
+
+
+    Examples
+    --------
+
+    >>> psi = OQSStateVector(2)
+    >>> print(psi.dim)
+    2
+
+
+    >>> vec = numpy.zeros((1,3), dtype=REAL)
+    >>> psi = OQSStateVector(data=vec)
+    Traceback (most recent call last):
+    ...
+    Exception: Data has to be a vector
+
+
+    """    
+
+
+    def __init__(self, dim=None, data=None):
+
+        self._initialited = False
+
+        if data is not None:
+
+            ddat = numpy.array(data)
+
+            if len(ddat.shape) > 1:
+                raise Exception("Data has to be a vector")
+
+            if dim != ddat.shape[0]:
+                print("Dimension specification differes from data: ignored.")
+
+            self.data = ddat 
+            self.dim = ddat.shape[0]
+            self._initialited = True
+
+        elif dim is not None:
+
+            self.dim = dim
+            self.data = numpy.zeros(self.dim, dtype=REAL)
+            self._initialited = True
+
+
+    def norm(self):
+        """Norm of the state vector 
+        
+        """
+
+        return numpy.dot(self.data,self.data)
+
+
+    def puredot(self, psi):
+        """Dot product concerning only the system part
+        
+        """
+
+        return numpy.dot(self.data, psi.data)
+
+

tests/unit/qm/hilbertspace/oqsstatevector_test.py

@@ -0,0 +1,68 @@
+# -*- coding: utf-8 -*-
+import unittest
+
+
+"""
+*******************************************************************************
+
+
+    Tests of the quantarhei.qm.hilbertspace.oqsstatevector package
+
+
+*******************************************************************************
+"""
+
+from quantarhei import OQSStateVector
+from quantarhei import REAL
+
+class TestOQSStateVector(unittest.TestCase):
+    """Tests for the statevector package
+    
+    
+    """
+
+    def test_of_state_vector_creation(self):
+        """Testing StateVector creation """
+
+        psi = OQSStateVector(3)
+
+        self.assertEqual(psi.dim,3)
+
+        psi = OQSStateVector()
+
+        self.assertFalse(psi._initialized)
+
+
+
+    def test_of_sv_creation_from_data(self):
+        """Testing StateVector creation with data"""
+
+        import numpy
+
+        vec = numpy.zeros((1,3), dtype=REAL)
+
+        with self.assertRaises(Exception):
+            psi = OQSStateVector(data=vec)
+
+        vec = numpy.zeros(3, dtype=REAL)
+        psi = OQSStateVector(data=vec)
+
+        self.assertEqual(psi.dim,3)
+
+
+    def test_creation_from_list(self):
+        """Tests creation from non numpy array """
+        import numpy
+
+        vec = [0.1, 2.0, 0.0]
+
+        psi = OQSStateVector(data = vec)
+
+        self.assertAlmostEqual(psi.norm(), numpy.sqrt(0.1**2 + 4.0))
+        self.assertAlmostEqual(psi.puredot(psi), psi.norm()**2)
+
+
+
+
+
+