from sympy.core.add import Add from sympy.core.containers import Tuple from sympy.core.expr import Expr from sympy.core.mul import Mul from sympy.core.power import Pow from sympy.core.sorting import default_sort_key from sympy.core.sympify import sympify from sympy.matrices import Matrix def _is_scalar(e): """ Helper method used in Tr""" # sympify to set proper attributes e = sympify(e) if isinstance(e, Expr): if (e.is_Integer or e.is_Float or e.is_Rational or e.is_Number or (e.is_Symbol and e.is_commutative) ): return True return False def _cycle_permute(l): """ Cyclic permutations based on canonical ordering Explanation =========== This method does the sort based ascii values while a better approach would be to used lexicographic sort. TODO: Handle condition such as symbols have subscripts/superscripts in case of lexicographic sort """ if len(l) == 1: return l min_item = min(l, key=default_sort_key) indices = [i for i, x in enumerate(l) if x == min_item] le = list(l) le.extend(l) # duplicate and extend string for easy processing # adding the first min_item index back for easier looping indices.append(len(l) + indices[0]) # create sublist of items with first item as min_item and last_item # in each of the sublist is item just before the next occurrence of # minitem in the cycle formed. sublist = [[le[indices[i]:indices[i + 1]]] for i in range(len(indices) - 1)] # we do comparison of strings by comparing elements # in each sublist idx = sublist.index(min(sublist)) ordered_l = le[indices[idx]:indices[idx] + len(l)] return ordered_l def _rearrange_args(l): """ this just moves the last arg to first position to enable expansion of args A,B,A ==> A**2,B """ if len(l) == 1: return l x = list(l[-1:]) x.extend(l[0:-1]) return Mul(*x).args class Tr(Expr): """ Generic Trace operation than can trace over: a) SymPy matrix b) operators c) outer products Parameters ========== o : operator, matrix, expr i : tuple/list indices (optional) Examples ======== # TODO: Need to handle printing a) Trace(A+B) = Tr(A) + Tr(B) b) Trace(scalar*Operator) = scalar*Trace(Operator) >>> from sympy.physics.quantum.trace import Tr >>> from sympy import symbols, Matrix >>> a, b = symbols('a b', commutative=True) >>> A, B = symbols('A B', commutative=False) >>> Tr(a*A,[2]) a*Tr(A) >>> m = Matrix([[1,2],[1,1]]) >>> Tr(m) 2 """ def __new__(cls, *args): """ Construct a Trace object. Parameters ========== args = SymPy expression indices = tuple/list if indices, optional """ # expect no indices,int or a tuple/list/Tuple if (len(args) == 2): if not isinstance(args[1], (list, Tuple, tuple)): indices = Tuple(args[1]) else: indices = Tuple(*args[1]) expr = args[0] elif (len(args) == 1): indices = Tuple() expr = args[0] else: raise ValueError("Arguments to Tr should be of form " "(expr[, [indices]])") if isinstance(expr, Matrix): return expr.trace() elif hasattr(expr, 'trace') and callable(expr.trace): #for any objects that have trace() defined e.g numpy return expr.trace() elif isinstance(expr, Add): return Add(*[Tr(arg, indices) for arg in expr.args]) elif isinstance(expr, Mul): c_part, nc_part = expr.args_cnc() if len(nc_part) == 0: return Mul(*c_part) else: obj = Expr.__new__(cls, Mul(*nc_part), indices ) #this check is needed to prevent cached instances #being returned even if len(c_part)==0 return Mul(*c_part)*obj if len(c_part) > 0 else obj elif isinstance(expr, Pow): if (_is_scalar(expr.args[0]) and _is_scalar(expr.args[1])): return expr else: return Expr.__new__(cls, expr, indices) else: if (_is_scalar(expr)): return expr return Expr.__new__(cls, expr, indices) @property def kind(self): expr = self.args[0] expr_kind = expr.kind return expr_kind.element_kind def doit(self, **kwargs): """ Perform the trace operation. #TODO: Current version ignores the indices set for partial trace. >>> from sympy.physics.quantum.trace import Tr >>> from sympy.physics.quantum.operator import OuterProduct >>> from sympy.physics.quantum.spin import JzKet, JzBra >>> t = Tr(OuterProduct(JzKet(1,1), JzBra(1,1))) >>> t.doit() 1 """ if hasattr(self.args[0], '_eval_trace'): return self.args[0]._eval_trace(indices=self.args[1]) return self @property def is_number(self): # TODO : improve this implementation return True #TODO: Review if the permute method is needed # and if it needs to return a new instance def permute(self, pos): """ Permute the arguments cyclically. Parameters ========== pos : integer, if positive, shift-right, else shift-left Examples ======== >>> from sympy.physics.quantum.trace import Tr >>> from sympy import symbols >>> A, B, C, D = symbols('A B C D', commutative=False) >>> t = Tr(A*B*C*D) >>> t.permute(2) Tr(C*D*A*B) >>> t.permute(-2) Tr(C*D*A*B) """ if pos > 0: pos = pos % len(self.args[0].args) else: pos = -(abs(pos) % len(self.args[0].args)) args = list(self.args[0].args[-pos:] + self.args[0].args[0:-pos]) return Tr(Mul(*(args))) def _hashable_content(self): if isinstance(self.args[0], Mul): args = _cycle_permute(_rearrange_args(self.args[0].args)) else: args = [self.args[0]] return tuple(args) + (self.args[1], )