adding openfermion to qcor observe() api (7130a00a) · Commits · ORNL Quantum Computing Institute / qcor

python/py-qcor.cpp

+34 −2

Original line number	Diff line number	Diff line
		@@ -113,7 +113,18 @@ std::shared_ptr<qcor::Observable> convertToPauliOperator(py::object op) {
		}
		} else {
		// this was identity
		ss << terms[term].cast<double>();
		try {
		auto coeff = terms[term].cast<double>();
		ss << coeff;
		} catch (std::exception &e) {
		try {
		auto coeff = terms[term].cast<std::complex<double>>();
		ss << coeff;
		} catch (std::exception &e) {
		qcor::error(
		"Could not cast identity coefficient to double or complex.");
		}
		}
		}
		i++;
		if (i != py::len(terms)) {
		@@ -139,7 +150,19 @@ std::shared_ptr<qcor::Observable> convertToPauliOperator(py::object op) {
		}
		} else {
		// this was identity
		ss << terms[term].cast<double>();

		try {
		auto coeff = terms[term].cast<double>();
		ss << coeff;
		} catch (std::exception &e) {
		try {
		auto coeff = terms[term].cast<std::complex<double>>();
		ss << coeff;
		} catch (std::exception &e) {
		qcor::error(
		"Could not cast identity coefficient to double or complex.");
		}
		}
		}
		i++;
		if (i != py::len(terms)) {
		@@ -150,6 +173,7 @@ std::shared_ptr<qcor::Observable> convertToPauliOperator(py::object op) {
		}
		} else {
		// throw an error
		std::cout << "THrowing an error\n";
		qcor::error(
		"Invalid python object passed as a QCOR Operator/Observable. "
		"Currently, we only accept OpenFermion datastructures.");
		@@ -511,6 +535,14 @@ PYBIND11_MODULE(_pyqcor, m) {
		return qcor::observe(kernel, obs, q);
		},
		"");
		m.def(
		"internal_observe",
		[](std::shared_ptr<CompositeInstruction> kernel, py::object obs) {
		auto observable = convertToPauliOperator(obs);
		auto q = ::qalloc(observable->nBits());
		return qcor::observe(kernel, observable, q);
		},
		"");

		// qsim sub-module bindings:
		{

python/tests/test_qcor_spec_api.py

+44 −2

Original line number	Diff line number	Diff line
		@@ -70,7 +70,49 @@ class TestQCORSpecAPI(unittest.TestCase):
		optimizer = createOptimizer('nlopt', {'nlopt-maxeval':20})
		opt_val, opt_params = optimizer.optimize(objective_function, 1)
		self.assertAlmostEqual(opt_val, 0.0, places=1)
		self.assertAlmostEqual(opt_params[0], .5, places=1)

		def test_observe_openfermion(self):
		try:
		from openfermion.ops import FermionOperator as FOp
		from openfermion.ops import QubitOperator as QOp
		from openfermion.transforms import jordan_wigner

		H = FOp('', 0.0002899) + FOp('0^ 0', -.43658) + \
		FOp('1 0^', 4.2866) + FOp('1^ 0', -4.2866) + FOp('1^ 1', 12.25)

		@qjit
		def ansatz(q : qreg, theta : float):
		X(q[0])
		Ry(q[1], theta)
		CX(q[1], q[0])

		target_energy = -1.74

		def objective_function(x):
		q = qalloc(2)
		energy = ansatz.observe(H, q, x[0])
		print(energy)
		return abs(target_energy - energy)

		optimizer = createOptimizer('nlopt', {'nlopt-maxeval':20})
		opt_val, opt_params = optimizer.optimize(objective_function, 1)
		print(opt_val, opt_params)
		self.assertAlmostEqual(opt_val, 0.0, places=1)

		Hq = jordan_wigner(H)
		def objective_function2(x):
		q = qalloc(2)
		energy = ansatz.observe(Hq, q, x[0])
		print(energy)
		return abs(target_energy - energy)

		objective_function2([2.2])
		optimizer = createOptimizer('nlopt', {'nlopt-maxeval':20})
		opt_val, opt_params = optimizer.optimize(objective_function2, 1)
		self.assertAlmostEqual(opt_val, 0.0, places=1)

		except:
		pass

		def test_operator(self):
		H = createOperator('-2.1433 X0X1 - 2.1433 Y0Y1 + .21829 Z0 - 6.125 Z1 + 5.907')