def anim_opt(self,
opt,
energy_profile=False,
colorbar=False,
figsize=(8, 6),
show=False):
try:
min_ = self.levels.min()
max_ = self.levels.max()
num = self.levels.size
levels = (min_, max_, num)
except TypeError:
levels = None
anim = AnimPlot(self.__class__(),
opt,
xlim=self.xlim,
ylim=self.ylim,
levels=levels,
energy_profile=energy_profile,
colorbar=colorbar,
figsize=figsize)
anim.animate()
if show:
plt.show()
return anim
def animate(opt):
xlim = (-2, 2.5)
ylim = (0, 5)
levels = (-3, 4, 80)
ap = AnimPlot(AnaPot(), opt, xlim=xlim, ylim=ylim, levels=levels)
ap.animate()
return ap
def test_anapot_growingstring_opt():
coords = (
(-1.05274, 1.02776, 0),
(1.94101, 3.85427, 0),
)
calc_getter = AnaPot
eps = .05
damp = .05
images = get_geoms(coords, calc_getter)
gs_kwargs = {
"max_nodes": 10,
"perp_thresh": 0.5,
# "perp_thresh": 1,
}
gs = GrowingString(images, calc_getter, reparam_every=1)
# from pysisyphus.optimizers.QuickMin import QuickMin
# opt = QuickMin(gs)
# self.coords = [c.reshape(-1, 3) for c in self.gs.coords_list]
# self.tangents = self.gs.tangent_list
# self.perp_forces = self.gs.perp_force_list
from pysisyphus.optimizers.SteepestDescent import SteepestDescent
# opt = SteepestDescent(gs, alpha=0.05, bt_disable=True, max_cycles=175)
opt = SteepestDescent(gs, alpha=0.05, bt_disable=True, max_cycles=70)
opt.run()
xlim = (-2, 2.5)
ylim = (0, 5)
levels = (-3, 4, 80)
ap = AnimPlot(AnaPot(), opt, xlim=xlim, ylim=ylim, levels=levels)
ap.animate()
def animate(opt):
xlim = (-1.5, 1.5)
ylim = (-0.5, 1.5)
levels = (-.5, 2, 30)
interval = 250
ap = AnimPlot(AnaPot3(),
opt,
xlim=xlim,
ylim=ylim,
levels=levels,
interval=interval)
ap.animate()
def animate_bare(opt):
xlim = (-2, 2.5)
ylim = (0, 5)
levels = (-3, 4, 80)
ap = AnimPlot(
AnaPot(),
opt,
xlim=xlim,
ylim=ylim,
levels=levels,
energy_profile=False,
colorbar=False,
figsize=(8, 6),
save=False,
title=False,
)
ap.animate()
return ap
def test_mb_gs_opt():
coords = (
(0.614, 0.031, 0),
(-.563, 1.43, 0),
)
calc_getter = MullerBrownPot
# pot = calc_getter()
# pot.plot()
# plt.show()
images = get_geoms(coords, calc_getter)
gs_kwargs = {
"max_nodes": 16,
"perp_thresh": 50,
"fix_ends": True,
}
gs = GrowingString(images, calc_getter, **gs_kwargs)
from pysisyphus.optimizers.QuickMin import QuickMin
from pysisyphus.optimizers.SteepestDescent import SteepestDescent as SD
# opt = QuickMin(gs)
opt = SD(gs, alpha=0.4, bt_disable=True)
opt.run()
ap = AnimPlot(calc_getter(), opt)
ap.animate()
def animate(opt):
xlim = (-1.75, 1.25)
ylim = (-0.5, 2.25)
levels = (-150, -15, 40)
ap = AnimPlot(MullerBrownPot(), opt, xlim=xlim, ylim=ylim, levels=levels)
ap.animate()