116 lines
3.8 KiB
Python
116 lines
3.8 KiB
Python
|
import numpy as np, os
|
||
|
|
import matplotlib.pyplot as plt
|
||
|
|
import matplotlib.ticker as mtick
|
||
|
|
|
||
|
|
from squish import Simulation, DomainParams, ordered
|
||
|
|
from squish.common import OUTPUT_DIR
|
||
|
|
from script_tools import RC_SETTINGS, get_args, get_data
|
||
|
|
|
||
|
|
NAME = "NearNeighbors"
|
||
|
|
second_neigh = True
|
||
|
|
|
||
|
|
|
||
|
|
def main():
|
||
|
|
sims_path, regen = get_args(
|
||
|
|
"Probability distribution of near neighbrs at distances",
|
||
|
|
"simulation folder of equilibriums to plot",
|
||
|
|
)
|
||
|
|
|
||
|
|
dists = np.linspace(0, 5, 25000)
|
||
|
|
|
||
|
|
def f():
|
||
|
|
all_data = {}
|
||
|
|
for n in [400]:
|
||
|
|
if second_neigh:
|
||
|
|
sim = Simulation.from_file(sims_path / f"Radial[T]Search - N{n} - 2500")
|
||
|
|
print("Loaded simulation.")
|
||
|
|
else:
|
||
|
|
sim, frames = Simulation.load(
|
||
|
|
sims_path / f"Radial[T]Search - N{n} - 2500"
|
||
|
|
)
|
||
|
|
|
||
|
|
counts = np.empty(dists.shape, dtype=float)
|
||
|
|
total_dists = np.array([], dtype=float)
|
||
|
|
if second_neigh:
|
||
|
|
for i, frame in enumerate(sim.frames):
|
||
|
|
if np.count_nonzero(frame.stats["site_edge_count"] != 6) != 6:
|
||
|
|
continue
|
||
|
|
total_dists = np.append(total_dists, frame.stats["site_distances"])
|
||
|
|
snn = frame.second_near_neighbor()
|
||
|
|
|
||
|
|
snn_dists = np.empty((sum([len(x) for x in snn])), dtype=float)
|
||
|
|
ind = 0
|
||
|
|
for j, site_snn in enumerate(snn):
|
||
|
|
site_snn_dists = ordered.toroidal_distance(
|
||
|
|
sim.domain,
|
||
|
|
frame.site_arr[site_snn],
|
||
|
|
np.ones((len(site_snn), 2)) * frame.site_arr[j],
|
||
|
|
)
|
||
|
|
snn_dists[ind : ind + len(site_snn_dists)] = site_snn_dists
|
||
|
|
ind += len(site_snn_dists)
|
||
|
|
|
||
|
|
total_dists = np.append(total_dists, snn_dists)
|
||
|
|
|
||
|
|
hashes = int(21 * i / len(sim))
|
||
|
|
print(
|
||
|
|
f'Processing N={n} at frame {i}... |{"#"*hashes}{" "*(20-hashes)}|'
|
||
|
|
+ f" {i+1}/{len(sim)} completed.",
|
||
|
|
flush=True,
|
||
|
|
end="\r",
|
||
|
|
)
|
||
|
|
print(flush=True)
|
||
|
|
else:
|
||
|
|
for frame in frames:
|
||
|
|
if (
|
||
|
|
np.count_nonzero(frame["stats"]["site_edge_count"] != 6) / n
|
||
|
|
< 0.08
|
||
|
|
):
|
||
|
|
continue
|
||
|
|
total_dists = np.append(
|
||
|
|
total_dists, frame["stats"]["site_distances"]
|
||
|
|
)
|
||
|
|
|
||
|
|
for i, dist in enumerate(dists):
|
||
|
|
counts[i] = np.count_nonzero(total_dists <= dist)
|
||
|
|
counts = 100 * counts / len(total_dists)
|
||
|
|
|
||
|
|
pad = 20
|
||
|
|
counts = np.array(
|
||
|
|
[np.mean(counts[max(0, i - pad) : i + pad]) for i in range(len(counts))]
|
||
|
|
)
|
||
|
|
|
||
|
|
grad = np.gradient(counts, dists[1] - dists[0])
|
||
|
|
all_data[n] = grad / (np.sum(grad) * (dists[1] - dists[0]))
|
||
|
|
|
||
|
|
return all_data
|
||
|
|
|
||
|
|
all_data = get_data(sims_path / "NearNeighborsD6.pkl", f, regen=regen)
|
||
|
|
data_2 = get_data(sims_path / "NearNeighborsD60.pkl", f, regen=regen)
|
||
|
|
|
||
|
|
plt.rcParams.update(RC_SETTINGS)
|
||
|
|
|
||
|
|
fig = plt.figure(figsize=(15, 15))
|
||
|
|
gs = fig.add_gridspec(1, 1)
|
||
|
|
ax = fig.add_subplot(gs[0])
|
||
|
|
|
||
|
|
for n, counts in sorted(all_data.items()):
|
||
|
|
ax.plot(dists, counts, label=f"D=6")
|
||
|
|
|
||
|
|
for n, counts in sorted(data_2.items()):
|
||
|
|
ax.plot(dists, counts, label=f"D=60")
|
||
|
|
|
||
|
|
ax.set_xlim(0, 3)
|
||
|
|
|
||
|
|
ax.set_xlabel(r"Distance")
|
||
|
|
# ax.set_ylabel("Percent of Distances")
|
||
|
|
|
||
|
|
ax.grid(zorder=0)
|
||
|
|
ax.legend()
|
||
|
|
|
||
|
|
fig.savefig(OUTPUT_DIR / (NAME + ".png"))
|
||
|
|
print(f"Wrote to {OUTPUT_DIR / (NAME + '.png')}")
|
||
|
|
|
||
|
|
|
||
|
|
if __name__ == "__main__":
|
||
|
|
main()
|