def test_ljcluster(self):
"""
Tests (pychemia.population.LJCluster) :
"""
if not has_connection():
return
popu = LJCluster('test', 'Ne4')
popu.add_random()
popu.add_random()
popu.pcdb.clean()
def test_ljcluster(self):
"""
Tests (pychemia.population.LJCluster) :
"""
if not has_connection():
return
popu = LJCluster('test', 'Ne4')
popu.add_random()
popu.add_random()
popu.pcdb.clean()
def test_firefly(self):
"""
Tests (pychemia.searcher.firefly) with LJ Clusters :
"""
if not has_connection():
return
pcm_log.debug('FireFly')
popu = LJCluster('test',
composition='Xe13',
refine=True,
direct_evaluation=True)
popu.pcdb.clean()
searcher = FireFly(popu, generation_size=8, stabilization_limit=3)
searcher.run()
popu.pcdb.clean()
searcher = FireFly(popu, {
'delta': 0.1,
'gamma': 0.1,
'beta0': 0.8,
'alpha0': 0,
'multi_move': True
},
generation_size=8,
stabilization_limit=3)
searcher.run()
popu.pcdb.clean()
def test_swarm(self):
"""
Test (pychemia.searcher.swarm) with LJ Clusters :
"""
if not has_connection():
return
pcm_log.debug('ParticleSwarm')
popu = LJCluster('test', composition='Xe13', refine=False, direct_evaluation=True)
popu.pcdb.clean()
searcher = ParticleSwarm(popu, generation_size=8, stabilization_limit=3)
searcher.run()
popu.pcdb.clean()
def test_harmony(self):
"""
Tests (pychemia.searcher.harmony) with LJ Clusters :
"""
if not has_connection():
return
pcm_log.debug('HarmonySearch')
popu = LJCluster('test',
composition='Xe13',
refine=False,
direct_evaluation=True)
popu.pcdb.clean()
searcher = HarmonySearch(popu,
generation_size=8,
stabilization_limit=3)
searcher.run()
popu.pcdb.clean()
def lj_searcher():
popu = LJCluster('test', 'Ar13', refine=False, minimal_density=40)
popu.pcdb.clean()
hs = HarmonySearch(popu, generation_size=8, stabilization_limit=3)
hs.run()