tests for the self-starting symmetric propagator

examples/test_cheb_mo_1p_1d_symmetric.py

@@ -19,7 +19,7 @@ params = {'tstart': spfloat(0., prec), 'tend': spfloat(100., prec),
 syspar = {'q0': spfloat(3., prec), 'p0': spfloat(0., prec),
           'fpprec': 'multi', 'prec': prec}
 
-syspar = {'q0': 3., 'p0': 0., 'fpprec': 'fixed'}
+# syspar = {'q0': 3., 'p0': 0., 'fpprec': 'fixed'}
 
 system = Morse(**syspar)
 

tests/sy_tests.py

+""" Tests for the self-starting symmetric polynomial propagator """
+import unittest
+import numpy as np
+from rotagaporp.generic import spfloat
+from rotagaporp.chebyshev import SymmetricChebyshev
+from rotagaporp.systems import Morse
+
+class TestSymmetricPolynomialPropagator(unittest.TestCase):
+    """ Test the self-starting symmetric polynomial propagator """
+
+    def compare(self, prop, params, syst, atol):
+        """ compare trajectories with analytic solution """
+        sy = prop(syst=syst, **params)
+        sy.propagate()
+        sy.analyse()
+        (tsy, qsy, psy) = sy.get_trajectory()
+        qan, pan = syst.solution(times=tsy)
+        qanfl = np.array(qan, dtype=float)
+        panfl = np.array(pan, dtype=float)
+        print(qsy, qanfl)
+        self.assertTrue(np.allclose(qsy, qanfl, atol=atol))
+        self.assertTrue(np.allclose(psy, panfl, atol=atol))
+        self.assertTrue(np.allclose(sy.er, 0, atol=atol))
+
+    def test_cheb_subs_fixed(self):
+        """ Chebyshev with fixed precision / subs """
+        numeric = {'tool': 'subs'}
+        params = {'tstart': 0., 'tend': 20., 'tstep': 0.2, 'nterms': 6,
+                  'signed': False, 'numeric': numeric, 'fpprec': 'fixed'}
+        syspar = {'q0': 3., 'p0': 0., 'fpprec': 'fixed'}
+        system = Morse(**syspar)
+        self.compare(SymmetricChebyshev, params, system, 1e-2)
+
+    def test_cheb_lambdify_fixed(self):
+        """ Chebyshev with fixed precision / lambdify """
+        numeric = {'tool': 'lambdify', 'modules': 'numpy'}
+        params = {'tstart': 0., 'tend': 20., 'tstep': 0.2, 'nterms': 6,
+                  'signed': False, 'numeric': numeric, 'fpprec': 'fixed'}
+        syspar = {'q0': 3., 'p0': 0., 'fpprec': 'fixed'}
+        system = Morse(**syspar)
+        self.compare(SymmetricChebyshev, params, system, 1e-2)
+
+    def test_cheb_theano_fixed(self):
+        """ Chebyshev with fixed precision / theano """
+        numeric = {'tool': 'theano'}
+        params = {'tstart': 0., 'tend': 20., 'tstep': 0.2, 'nterms': 6,
+                  'signed': False, 'numeric': numeric, 'fpprec': 'fixed'}
+        syspar = {'q0': 3., 'p0': 0., 'fpprec': 'fixed'}
+        system = Morse(**syspar)
+        self.compare(SymmetricChebyshev, params, system, 1e-2)
+
+    def test_cheb_subs_prec15(self):
+        """ Chebyshev with multi precision 15 decimal digits / subs """
+        prec = 15
+        numeric = {'tool': 'subs'}
+        params = {'tstart': spfloat(0., prec), 'tend': spfloat(20., prec),
+                  'tstep': spfloat(0.2, prec), 'nterms': 6, 'signed': False,
+                  'numeric': numeric, 'fpprec': 'multi', 'prec': prec}
+        syspar = {'q0': spfloat(3., prec), 'p0': spfloat(0., prec),
+                  'fpprec': 'multi', 'prec': prec}
+        system = Morse(**syspar)
+        self.compare(SymmetricChebyshev, params, system, 1e-2)
+
+    def test_cheb_lambdify_prec08(self):
+        """ Chebyshev with multi precision 8 decimal digits / lambdify """
+        prec = 8
+        numeric = {'tool': 'lambdify', 'modules': 'mpmath'}
+        params = {'tstart': spfloat(0., prec), 'tend': spfloat(20., prec),
+                  'tstep': spfloat(0.2, prec), 'nterms': 6, 'signed': False,
+                  'numeric': numeric, 'fpprec': 'multi', 'prec': prec}
+        syspar = {'q0': spfloat(3., prec), 'p0': spfloat(0., prec),
+                  'fpprec': 'multi', 'prec': prec}
+        system = Morse(**syspar)
+        self.compare(SymmetricChebyshev, params, system, 1e-2)
+
+    def test_cheb_lambdify_prec30(self):
+        """ Chebyshev with multi precision 30 decimal digits / lambdify """
+        prec = 30
+        numeric = {'tool': 'lambdify', 'modules': 'mpmath'}
+        params = {'tstart': spfloat(0., prec), 'tend': spfloat(20., prec),
+                  'tstep': spfloat(0.2, prec), 'nterms': 6, 'signed': False,
+                  'numeric': numeric, 'fpprec': 'multi', 'prec': prec}
+        syspar = {'q0': spfloat(3., prec), 'p0': spfloat(0., prec),
+                  'fpprec': 'multi', 'prec': prec}
+        system = Morse(**syspar)
+        self.compare(SymmetricChebyshev, params, system, 1e-2)