Updated scripts
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scripts/aspect_diagrams.py
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424
scripts/aspect_diagrams.py
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from __future__ import annotations
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from typing import List, Tuple, Dict
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import argparse, math, numpy as np, os
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import matplotlib.pyplot as plt
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import matplotlib.ticker as mtick
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from multiprocessing import Pool, cpu_count
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from pathlib import Path
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import squish.ordered as order
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from squish import Simulation, DomainParams
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from squish.common import OUTPUT_DIR
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def order_process(domain: DomainParams) -> Tuple[float, float, float]:
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energies, isoparams = [], []
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configs = order.configurations(domain)
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for config in configs:
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rbar = order.avg_radius(domain, config)
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area = domain.w * domain.h / domain.n
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energies.append(
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2 * domain.w * domain.h
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+ 2 * math.pi * domain.n * (domain.r ** 2 - 2 * domain.r * rbar)
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)
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isoparams.append(math.pi * rbar ** 2 / area)
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return domain.w, min(energies), max(energies), min(isoparams), max(isoparams)
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def get_ordered_energies(orig_domain: DomainParams, widths: np.ndarray) -> Dict:
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data = {}
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domains = []
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for w in widths:
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aspect = w / orig_domain.h
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domains.append(
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DomainParams(
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orig_domain.n,
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math.sqrt(orig_domain.n * aspect),
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math.sqrt(orig_domain.n / aspect),
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orig_domain.r,
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)
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)
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# domains = [
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# DomainParams(orig_domain.n, w, orig_domain.h, orig_domain.r) for w in widths
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# ]
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with Pool(cpu_count()) as pool:
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energy_mins, energy_maxes, isoparam_mins, isoparam_maxes = {}, {}, {}, {}
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for i, res in enumerate(pool.imap_unordered(order_process, domains)):
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energy_mins[res[0]] = res[1]
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energy_maxes[res[0]] = res[2]
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isoparam_mins[res[0]] = res[3]
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isoparam_maxes[res[0]] = res[4]
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hashes = int(21 * i / len(widths))
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print(
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f'Generating at width {res[0]:.02f}... |{"#"*hashes}{" "*(20-hashes)}|'
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+ f" {i+1}/{len(widths)} completed.",
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flush=True,
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end="\r",
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)
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print(flush=True)
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data["energy_min"] = list([x[1] for x in sorted(energy_mins.items())])
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data["energy_max"] = list([x[1] for x in sorted(energy_maxes.items())])
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data["isoparam_min"] = list([x[1] for x in sorted(isoparam_mins.items())])
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data["isoparam_max"] = list([x[1] for x in sorted(isoparam_maxes.items())])
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return data
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def eq_file_process(file: Path) -> Tuple[float, List[float], List[float]]:
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sim, frames = Simulation.load(file)
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alls = []
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for frame_info in frames:
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alls.append(
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[
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frame_info["energy"],
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np.var(frame_info["stats"]["avg_radius"]) <= 1e-8,
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np.count_nonzero(frame_info["stats"]["site_edge_count"] != 6),
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sum(frame_info["stats"]["site_energies"][: sim.domain.n]),
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]
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)
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sim, frames = Simulation.load(file)
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sim.frames = list(frames)
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counts = sim.get_distinct()
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distincts = []
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for j, frame_info in enumerate(sim.frames):
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distincts.append(
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[
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frame_info["energy"],
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np.var(frame_info["stats"]["avg_radius"]) <= 1e-8,
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np.count_nonzero(frame_info["stats"]["site_edge_count"] != 6),
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sum(frame_info["stats"]["site_energies"][: sim.domain.n]),
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counts[j],
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]
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)
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return sim.domain.w, alls, distincts
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def get_equilibria_data(filepath: Path) -> Tuple[Dict, numpy.ndarray, DomainParams]:
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data = {"all": {}, "distinct": {}}
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files = list(Path(filepath).iterdir())
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with Pool(cpu_count()) as pool:
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for i, res in enumerate(pool.imap_unordered(eq_file_process, files)):
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data["all"][res[0]] = res[1]
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data["distinct"][res[0]] = res[2]
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hashes = int(21 * i / len(files))
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print(
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f'Loading simulations... |{"#"*hashes}{" "*(20-hashes)}|'
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+ f" {i+1}/{len(files)} simulations loaded.",
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flush=True,
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end="\r",
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)
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print(flush=True)
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sim, frames = Simulation.load(files[0])
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widths = np.asarray(sorted(data["all"]))
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domain = DomainParams(sim.domain.n, widths[-1], sim.domain.h, sim.domain.r)
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return data, widths, domain
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def axis_settings(ax, widths):
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ax.grid(zorder=0)
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ax.set_xticks([round(w, 2) for w in widths[::2]])
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ax.set_xticklabels([f"{round(w / 10, 3):.2f}" for w in widths[::2]], rotation=90)
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plt.subplots_adjust(0.07, 0.12, 0.97, 0.9)
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def probability_of_disorder(data, widths, domain):
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fig, ax = plt.subplots(figsize=(16, 8))
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all_disorder_count = []
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for width in widths:
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equal_shape = list([c[1] for c in data["all"][width]])
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all_disorder_count.append(
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100 * equal_shape.count(False) / len(data["all"][width])
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)
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ax.plot(widths, all_disorder_count)
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axis_settings(ax, widths)
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ax.yaxis.set_major_formatter(mtick.PercentFormatter())
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ax.title.set_text(f"Probability of Disorder - N{domain.n}")
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ax.set_xlabel("Aspect Ratio")
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ax.set_ylabel("Disordered Equilibria")
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boa_y_min = round(min(all_disorder_count) / 20) * 20 - 5
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ax.set_yticks(np.arange(boa_y_min, 100.01, 2.5))
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return fig
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def density_of_states(data, widths, domain):
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fig, ax = plt.subplots(figsize=(16, 8))
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distinct_ordered, distinct_unordered = [], []
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for width in widths:
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equal_shape = list([c[1] for c in data["distinct"][width]])
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distinct_ordered.append(equal_shape.count(True))
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distinct_unordered.append(equal_shape.count(False))
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ax2 = ax.twinx()
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ax.plot(widths, distinct_unordered, label="Unordered Equilibria", color="C0")
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ax2.plot(widths, distinct_ordered, label="Ordered Equilibria", color="C1")
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axis_settings(ax, widths)
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plt.subplots_adjust(0.07, 0.12, 0.92, 0.9)
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ax.title.set_text(f"Density of States - N{domain.n}")
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ax.set_xlabel("Aspect Ratio")
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ax.set_ylabel("Number of States (Disordered)", color="C0")
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ax2.set_ylabel("Number of States (Ordered)", color="C1")
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dos_y_max_unorder = 1.05 * max(distinct_unordered)
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dos_y_max_order = 1.05 * max(distinct_ordered)
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ax.set_yticks(np.linspace(0, dos_y_max_unorder, 20).astype(int))
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# ax.set_yticks(np.arange(0, dos_y_max_unorder, round(dos_y_max_unorder/200, 1)*10))
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ax2.set_yticks(np.arange(0, dos_y_max_order))
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return fig
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def defect_density(data, widths, domain):
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fig, ax = plt.subplots(figsize=(16, 8))
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defects = []
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for width in widths:
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defects.append(
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sum([c[2] for c in data["all"][width] if not c[1]])
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/ len(data["all"][width])
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)
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ax.plot(widths, defects)
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axis_settings(ax, widths)
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ax.title.set_text(f"Average Defects - N{domain.n}")
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ax.set_xlabel("Aspect Ratio")
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ax.set_ylabel("Defects")
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ax.set_yticks(np.arange(0, 1 + max(defects), 0.5))
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return fig
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def circle_isoparam(data, widths, order_data, domain):
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fig, ax = plt.subplots(figsize=(16, 8))
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ax2 = ax.twinx()
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axis_settings(ax, widths)
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plt.subplots_adjust(0.07, 0.12, 0.92, 0.9)
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ax.title.set_text(f"Circular Isoparametric Ratio - N{domain.n}")
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ax.set_xlabel("Aspect Ratio")
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ax.set_ylabel("Maximum Ratio", color="C0")
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ax2.set_ylabel("Minimum Ratio", color="C1")
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ax.plot(widths, order_data["isoparam_max"], label="Maximum", color="C0")
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ax2.plot(widths, order_data["isoparam_min"], label="Minimum", color="C1")
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return fig
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def reduced_energy(data, widths, order_data, domain):
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fig, ax = plt.subplots(figsize=(16, 8))
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ordered_energies, unordered_energies = [], []
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for width in widths:
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ordered_energies.append([c[0] for c in data["distinct"][width] if c[1]])
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unordered_energies.append([c[0] for c in data["distinct"][width] if not c[1]])
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for i in range(len(order_data["energy_min"])):
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ordered_energies[i].append(order_data["energy_min"][i])
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ordered_energies[i].append(order_data["energy_max"][i])
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min_order = np.asarray([min(width) for width in ordered_energies])
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max_order = np.asarray([max(width) for width in ordered_energies])
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min_unorder = np.asarray([min(width) for width in unordered_energies])
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max_unorder = np.asarray([max(width) for width in unordered_energies])
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offset = np.array(min_order)
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min_unorder_off = min_unorder - offset
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max_unorder_off = max_unorder - offset
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ax.plot(widths, min_order - offset, color="C1")
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# ax.plot(widths, max_order - offset, color='C1', linestyle='dotted')
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ax.plot(widths, min_unorder_off, color="C0")
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ax.plot(widths, max_unorder_off, color="C0", linestyle="dotted")
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axis_settings(ax, widths)
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ax.title.set_text(f"Reduced Energy vs. Width - N{domain.n}")
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ax.set_xlabel("Aspect Ratio")
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ax.set_ylabel("Reduced Energy")
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bif_y_max = np.max(np.abs(np.concatenate((min_unorder_off, max_unorder_off))))
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bif_top = np.arange(
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0, bif_y_max, round(bif_y_max / 20, -math.floor(math.log10(bif_y_max / 20)))
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)
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ax.set_yticks(np.concatenate((-bif_top[1:][::-1], bif_top)))
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return fig
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def defect_energy(data, widths, order_data, domain):
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fig, ax = plt.subplots(figsize=(16, 8))
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ordered_energies, unordered_energies = [], []
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for width in widths:
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ordered_energies.append([c[0] for c in data["distinct"][width] if c[1]])
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unordered_energies.append([c[0] for c in data["distinct"][width] if not c[1]])
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for i in range(len(order_data["energy_min"])):
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ordered_energies[i].append(order_data["energy_min"][i])
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ordered_energies[i].append(order_data["energy_max"][i])
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min_order = np.asarray([min(width) for width in ordered_energies])
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max_order = np.asarray([max(width) for width in ordered_energies])
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min_unorder = np.asarray([min(width) for width in unordered_energies])
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max_unorder = np.asarray([max(width) for width in unordered_energies])
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offset = np.array(min_order)
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defect_a, defect_b = [], []
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for width in widths:
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num_defects = [c[2] for c in data["all"][width]]
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defect_energy = [c[3] for c in data["all"][width]]
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m, b = np.polyfit(num_defects, defect_energy, 1)
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defect_a.append(m)
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defect_b.append(b)
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ax2 = ax.twinx()
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ax.plot(widths, defect_a, label="Energy per Defect", color="C0")
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ax2.plot(widths, defect_b - offset, label="Relative Initial Energy", color="C1")
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axis_settings(ax, widths)
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plt.subplots_adjust(0.07, 0.12, 0.92, 0.9)
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ax.title.set_text(f"Defect Energy - N{domain.n}")
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ax.set_xlabel("Aspect Ratio")
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ax.set_ylabel("Energy per Defect", color="C0")
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ax2.set_ylabel("Relative Initial Energy", color="C1")
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return fig
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def excess_energy(data, widths, order_data, domain):
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fig, ax = plt.subplots(figsize=(16, 8))
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ordered_energies, unordered_energies = [], []
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for width in widths:
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ordered_energies.append([c[0] for c in data["distinct"][width] if c[1]])
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unordered_energies.append([c[0] for c in data["distinct"][width] if not c[1]])
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for i in range(len(order_data["energy_min"])):
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ordered_energies[i].append(order_data["energy_min"][i])
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ordered_energies[i].append(order_data["energy_max"][i])
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min_order = np.asarray([min(width) for width in ordered_energies])
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max_order = np.asarray([max(width) for width in ordered_energies])
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min_unorder = np.asarray([min(width) for width in unordered_energies])
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max_unorder = np.asarray([max(width) for width in unordered_energies])
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# Energy of regular hexagon with area 1
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offset = (
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2
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- 2 * domain.r * (6 * 3 ** (-0.25) * math.sqrt(2) * math.atanh(0.5))
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+ 2 * math.pi * domain.r ** 2
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)
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min_order_off = min_order / domain.n - offset
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min_unorder_off = min_unorder / domain.n - offset
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max_unorder_off = max_unorder / domain.n - offset
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ax.plot(widths, min_order_off, color="C1", label="Minimum Ordered")
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ax.plot(widths, min_unorder_off, color="C0", label="Minimum Disordered")
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ax.plot(
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widths,
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max_unorder_off,
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color="C0",
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linestyle="dotted",
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label="Maximum Disordered",
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)
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# ax.plot(
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# [min(widths), max(widths)],
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# [offset, offset],
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# color="C1",
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# linestyle="dotted",
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# label="Regular Energy",
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# )
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axis_settings(ax, widths)
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ax.title.set_text(f"Energy at Aspect Ratios - N{domain.n}")
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ax.set_xlabel("Aspect Ratio")
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ax.set_ylabel("Excess Energy per Site")
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ax.legend()
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start, end = ax.get_ylim()
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ax.set_yticks(np.linspace(0, end, 20))
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ax.ticklabel_format(axis="y", style="sci")
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return fig
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def main():
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# Loading arguments.
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parser = argparse.ArgumentParser("Outputs width search data into diagrams")
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parser.add_argument(
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"sims_path",
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metavar="path/to/data",
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help="folder that contains simulation files, or cached data file.",
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)
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parser.add_argument(
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"-q",
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"--quiet",
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dest="quiet",
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action="store_true",
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default=False,
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help="suppress all normal output",
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)
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args = parser.parse_args()
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# Obtain data from simulation files and generate single shape data.
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data, widths, domain = get_equilibria_data(Path(args.sims_path))
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order_data = get_ordered_energies(domain, widths)
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fig_folder = OUTPUT_DIR / Path(f"AspectDiagrams - N{domain.n}")
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fig_folder.mkdir(exist_ok=True)
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# Generating diagrams.
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probability_of_disorder(data, widths, domain).savefig(
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fig_folder / "Probability of Disorder.png"
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)
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density_of_states(data, widths, domain).savefig(
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fig_folder / "Density Of States.png"
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)
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defect_density(data, widths, domain).savefig(fig_folder / "Defects.png")
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reduced_energy(data, widths, order_data, domain).savefig(
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fig_folder / "Reduced Energy.png"
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)
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defect_energy(data, widths, order_data, domain).savefig(
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fig_folder / "Defect Energy.png"
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)
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circle_isoparam(data, widths, order_data, domain).savefig(
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fig_folder / "Circular Isoparametric Ratio.png"
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)
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excess_energy(data, widths, order_data, domain).savefig(
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fig_folder / "Excess Energy.png"
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)
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print(f"Wrote to {fig_folder}.")
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if __name__ == "__main__":
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os.environ["QT_LOGGING_RULES"] = "*=false"
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try:
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main()
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except KeyboardInterrupt:
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print("Program terminated by user.")
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39
scripts/defectenergy.py
Normal file
39
scripts/defectenergy.py
Normal file
@ -0,0 +1,39 @@
|
||||
from squish import Simulation
|
||||
import matplotlib.pyplot as plt
|
||||
import os, numpy as np
|
||||
|
||||
|
||||
def main():
|
||||
sim, frames = Simulation.load(
|
||||
"squish_output/Radial[T]Search - N11-400 - 10.00x10.00 - 500/Radial[T]Search - N397 - 10.00x10.00"
|
||||
)
|
||||
|
||||
defect, energy = [], []
|
||||
for frame_info in frames:
|
||||
defect.append(np.count_nonzero(frame_info["stats"]["site_edge_count"] != 6))
|
||||
energy.append(sum(frame_info["stats"]["site_energies"][:400]))
|
||||
|
||||
fig, ax = plt.subplots(1, figsize=(8, 8))
|
||||
plt.subplots_adjust(0.1, 0.12, 0.97, 0.9)
|
||||
|
||||
fig.suptitle("Defects vs. Energy")
|
||||
ax.set_xlabel("Defects")
|
||||
ax.set_ylabel("Energy")
|
||||
ax.grid(zorder=0)
|
||||
ax.set_xticks(np.arange(0, 64, 2))
|
||||
ax.scatter(defect, energy, zorder=3, color="C0", marker="*")
|
||||
|
||||
m, b = np.polyfit(defect, energy, 1)
|
||||
ax.plot(
|
||||
defect, np.array(defect) * m + b, zorder=3, color="C1", label=f"Slope: {m:.4f}"
|
||||
)
|
||||
ax.legend()
|
||||
fig.savefig("DefectEnergyN397-10.00.png")
|
||||
|
||||
|
||||
if __name__ == "__main__":
|
||||
os.environ["QT_LOGGING_RULES"] = "*=false"
|
||||
try:
|
||||
main()
|
||||
except KeyboardInterrupt:
|
||||
print("Program terminated by user.")
|
||||
202
scripts/maxcenter.py
Normal file
202
scripts/maxcenter.py
Normal file
@ -0,0 +1,202 @@
|
||||
from __future__ import annotations
|
||||
import matplotlib.pyplot as plt
|
||||
import os, numpy as np
|
||||
import cmath, math, pickle
|
||||
|
||||
|
||||
def main():
|
||||
|
||||
with open("site_verts.pkl", "rb") as f:
|
||||
sites, site_verts = pickle.load(f)
|
||||
|
||||
for i in range(400):
|
||||
verts = [
|
||||
as_complex(site_verts[i][j] - sites[i]) for j in range(len(site_verts[i]))
|
||||
]
|
||||
plot_2d(verts, f"squish_output/maxcenters_sim/{i:03}.png")
|
||||
return
|
||||
v = [
|
||||
0.266 + 0.87j,
|
||||
-0.626 + 0.747j,
|
||||
-0.976 - 0.046j,
|
||||
-0.283 - 0.873j,
|
||||
0.676 - 0.447j,
|
||||
0.875 + 0.414j,
|
||||
]
|
||||
|
||||
# v = [v[0], v[1], v[3]]
|
||||
|
||||
line = np.linspace(-1, 1, 120)
|
||||
line2 = np.linspace(-1, 1, 120)
|
||||
X, Y = np.meshgrid(line, line2)
|
||||
Z = np.empty(X.shape)
|
||||
DZ = np.empty(X.shape, dtype="complex")
|
||||
HZ = np.empty((X.shape[0], X.shape[1], 2, 2))
|
||||
for i, x in enumerate(line):
|
||||
for j, y in enumerate(line2):
|
||||
rad, deriv, hess = average_radius(x + 1j * y, v, l)
|
||||
Z[j][i] = rad
|
||||
DZ[j][i] = deriv
|
||||
HZ[j][i] = hess
|
||||
|
||||
max_indices = np.unravel_index(np.argmax(Z), Z.shape)
|
||||
|
||||
fig = plt.figure()
|
||||
ax1 = fig.add_subplot(111, projection="3d")
|
||||
ax1.contour(
|
||||
X,
|
||||
Y,
|
||||
Z,
|
||||
np.linspace(4, 5.7, 15),
|
||||
rstride=1,
|
||||
cstride=1,
|
||||
cmap="viridis",
|
||||
edgecolor="none",
|
||||
)
|
||||
ax1.scatter(X[max_indices], Y[max_indices], Z[max_indices])
|
||||
|
||||
cent = centroid(v, l)
|
||||
maxcent = maxcenter(v, l)
|
||||
ax1.scatter(cent.real, cent.imag, 3)
|
||||
ax1.scatter(maxcent.real, maxcent.imag, 3)
|
||||
|
||||
print(maxcent)
|
||||
print(abs(maxcent - cent))
|
||||
|
||||
ax1.view_init(elev=90, azim=270)
|
||||
plt.show()
|
||||
|
||||
ax2 = fig.add_subplot(111, projection="3d")
|
||||
ax2.contour(
|
||||
X,
|
||||
Y,
|
||||
DZ.real,
|
||||
np.linspace(-3, 3, 9),
|
||||
rstride=1,
|
||||
cstride=1,
|
||||
cmap="viridis",
|
||||
edgecolor="none",
|
||||
)
|
||||
ax2.contour(
|
||||
X,
|
||||
Y,
|
||||
DZ.imag,
|
||||
np.linspace(-3, 3, 9),
|
||||
rstride=1,
|
||||
cstride=1,
|
||||
cmap="viridis",
|
||||
edgecolor="none",
|
||||
)
|
||||
|
||||
ax2.view_init(elev=90, azim=270)
|
||||
ax2.scatter(X[max_indices], Y[max_indices], Z[max_indices])
|
||||
# ax2.plot_surface(X, Y, DZy, rstride=1, cstride=1, cmap="viridis", edgecolor="none")
|
||||
# for vert in v:
|
||||
# ax.scatter(vert.real, vert.imag, 5)
|
||||
|
||||
plt.savefig("TestPolygonAverageRadius.png")
|
||||
plt.show()
|
||||
|
||||
|
||||
def plot_2d(v: List[complex], name: str):
|
||||
l = get_l(v)
|
||||
cent, maxcent = centroid(v, l), maxcenter(v, l)
|
||||
|
||||
fig, ax = plt.subplots(1, figsize=(8, 8))
|
||||
|
||||
for i in range(len(v)):
|
||||
va, vap = v[i], v[(i + 1) % len(v)]
|
||||
ax.plot([va.real, vap.real], [va.imag, vap.imag], color="black")
|
||||
|
||||
ax.scatter(cent.real, cent.imag, label="Centroid")
|
||||
ax.scatter(maxcent.real, maxcent.imag, label="Maxcenter")
|
||||
ax.legend()
|
||||
ax.grid()
|
||||
|
||||
plt.savefig(name)
|
||||
plt.close()
|
||||
|
||||
|
||||
def get_l(v):
|
||||
l = []
|
||||
for i in range(len(v)):
|
||||
l.append(v[(i + 1) % len(v)] - v[i])
|
||||
return l
|
||||
|
||||
|
||||
def generate_hexagon():
|
||||
angles = np.sort(np.random.random_sample((6,)))
|
||||
while np.any(np.diff(angles) >= 0.5):
|
||||
angles = np.sort(np.random.random_sample((6,)))
|
||||
angles *= 2 * math.pi
|
||||
|
||||
mags = np.random.random_sample((3,))
|
||||
mags = np.array([mags[0], 1, mags[1], 1, mags[2], 1])
|
||||
|
||||
v = []
|
||||
for mag, angle in zip(mags, angles):
|
||||
v.append(cmath.rect(1, angle))
|
||||
|
||||
return v
|
||||
|
||||
|
||||
def centroid(v, l):
|
||||
area, cent = 0, 0
|
||||
for i in range(len(v)):
|
||||
jdi = v[i] * 1j
|
||||
A = (jdi.conjugate() * l[i] + jdi * l[i].conjugate()) / 4
|
||||
area += A
|
||||
cent += (2 * v[i] + l[i]) * A
|
||||
|
||||
return (1 / (3 * area)) * cent
|
||||
|
||||
|
||||
def average_radius(x, v, l):
|
||||
radius, deriv, hess = [], [], []
|
||||
for i in range(len(v)):
|
||||
jdi = (v[i] - x) * 1j
|
||||
A = (jdi.conjugate() * l[i] + jdi * l[i].conjugate()) / 2
|
||||
k = -1j * l[i]
|
||||
|
||||
da, dap = v[i] - x, v[i] - x + l[i]
|
||||
dau, dapu = da / abs(da), dap / abs(dap)
|
||||
kcu = k.conjugate() / abs(k)
|
||||
z, zp = kcu * dau, kcu * dapu
|
||||
|
||||
int_rad = 2 * (cmath.atan(zp) - cmath.atan(z)) / (1j * abs(k))
|
||||
|
||||
radius.append(A * int_rad)
|
||||
deriv.append(-k * int_rad)
|
||||
hess.append(np.dot(as_vector(k).T, as_vector(1j * (dapu - dau) / A)))
|
||||
|
||||
if True in [x.real < 0 for x in radius]:
|
||||
return 0, 0, 0
|
||||
else:
|
||||
return sum(radius).real, sum(deriv), sum(hess)
|
||||
|
||||
|
||||
def as_vector(c):
|
||||
return np.atleast_2d(np.array([c.real, c.imag]))
|
||||
|
||||
|
||||
def as_complex(v):
|
||||
v = v.flatten()
|
||||
return v[0] + 1j * v[1]
|
||||
|
||||
|
||||
def maxcenter(v, l, delta=1e-8):
|
||||
above_thres = True
|
||||
x = centroid(v, l)
|
||||
while above_thres:
|
||||
rad, deriv, hess = average_radius(x, v, l)
|
||||
above_thres = np.linalg.norm(deriv) > delta
|
||||
x -= as_complex(as_vector(deriv).dot(np.linalg.inv(hess)))
|
||||
return x
|
||||
|
||||
|
||||
if __name__ == "__main__":
|
||||
os.environ["QT_LOGGING_RULES"] = "*=false"
|
||||
try:
|
||||
main()
|
||||
except KeyboardInterrupt:
|
||||
print("Program terminated by user.")
|
||||
@ -1,276 +0,0 @@
|
||||
from __future__ import annotations
|
||||
from typing import List, Tuple, Dict
|
||||
import argparse, math, numpy as np, os
|
||||
import matplotlib.pyplot as plt
|
||||
import matplotlib.ticker as mtick
|
||||
from multiprocessing import Pool, cpu_count
|
||||
from pathlib import Path
|
||||
|
||||
import squish.ordered as order
|
||||
from squish import Simulation, DomainParams
|
||||
from squish.common import OUTPUT_DIR
|
||||
|
||||
|
||||
def order_process(domain: DomainParams) -> Tuple[float, float, float]:
|
||||
energies = []
|
||||
configs = order.configurations(domain)
|
||||
for config in configs:
|
||||
energies.append(
|
||||
2 * domain.w * domain.h
|
||||
+ 2
|
||||
* math.pi
|
||||
* domain.n
|
||||
* (domain.r ** 2 - 2 * domain.r * order.avg_radius(domain, config))
|
||||
)
|
||||
|
||||
return domain.w, min(energies), max(energies)
|
||||
|
||||
|
||||
def get_ordered_energies(orig_domain: DomainParams, widths: np.ndarray) -> Dict:
|
||||
data = {}
|
||||
domains = [
|
||||
DomainParams(orig_domain.n, w, orig_domain.h, orig_domain.r) for w in widths
|
||||
]
|
||||
|
||||
with Pool(cpu_count()) as pool:
|
||||
mins, maxes = {}, {}
|
||||
for i, res in enumerate(pool.imap_unordered(order_process, domains)):
|
||||
mins[res[0]] = res[1]
|
||||
maxes[res[0]] = res[2]
|
||||
|
||||
hashes = int(21 * i / len(widths))
|
||||
print(
|
||||
f'Generating at width {res[0]:.02f}... |{"#"*hashes}{" "*(20-hashes)}|'
|
||||
+ f" {i+1}/{len(widths)} completed.",
|
||||
flush=True,
|
||||
end="\r",
|
||||
)
|
||||
|
||||
print(flush=True)
|
||||
|
||||
data["min"] = list([x[1] for x in sorted(mins.items())])
|
||||
data["max"] = list([x[1] for x in sorted(maxes.items())])
|
||||
|
||||
return data
|
||||
|
||||
|
||||
def eq_file_process(file: Path) -> Tuple[float, List[float], List[float]]:
|
||||
sim, frames = Simulation.load(file)
|
||||
|
||||
alls = []
|
||||
for frame_info in frames:
|
||||
alls.append(
|
||||
[
|
||||
frame_info["energy"],
|
||||
np.var(frame_info["stats"]["avg_radius"]) <= 1e-8,
|
||||
np.count_nonzero(frame_info["stats"]["site_edge_count"] != 6),
|
||||
]
|
||||
)
|
||||
|
||||
sim, frames = Simulation.load(file)
|
||||
sim.frames = list(frames)
|
||||
counts = sim.get_distinct()
|
||||
|
||||
distincts = []
|
||||
for j, frame_info in enumerate(sim.frames):
|
||||
distincts.append(
|
||||
[
|
||||
frame_info["energy"],
|
||||
np.var(frame_info["stats"]["avg_radius"]) <= 1e-8,
|
||||
np.count_nonzero(frame_info["stats"]["site_edge_count"] != 6),
|
||||
counts[j],
|
||||
]
|
||||
)
|
||||
|
||||
return sim.domain.w, alls, distincts
|
||||
|
||||
|
||||
def get_equilibria_data(filepath: Path) -> Tuple[Dict, numpy.ndarray, DomainParams]:
|
||||
data = {"all": {}, "distinct": {}}
|
||||
files = list(Path(filepath).iterdir())
|
||||
|
||||
with Pool(cpu_count()) as pool:
|
||||
for i, res in enumerate(pool.imap_unordered(eq_file_process, files)):
|
||||
data["all"][res[0]] = res[1]
|
||||
data["distinct"][res[0]] = res[2]
|
||||
|
||||
hashes = int(21 * i / len(files))
|
||||
print(
|
||||
f'Loading simulations... |{"#"*hashes}{" "*(20-hashes)}|'
|
||||
+ f" {i+1}/{len(files)} simulations loaded.",
|
||||
flush=True,
|
||||
end="\r",
|
||||
)
|
||||
print(flush=True)
|
||||
|
||||
sim, frames = Simulation.load(files[0])
|
||||
widths = np.asarray(sorted(data["all"]))
|
||||
domain = DomainParams(sim.domain.n, widths[-1], sim.domain.h, sim.domain.r)
|
||||
return data, widths, domain
|
||||
|
||||
|
||||
def axis_settings(ax, widths):
|
||||
ax.invert_xaxis()
|
||||
ax.grid(zorder=0)
|
||||
ax.set_xticks([round(w, 2) for w in widths[::-2]])
|
||||
ax.set_xticklabels(ax.get_xticks(), rotation=90)
|
||||
plt.subplots_adjust(0.07, 0.12, 0.97, 0.9)
|
||||
|
||||
|
||||
def main():
|
||||
# Loading arguments.
|
||||
parser = argparse.ArgumentParser("Outputs width search data into diagrams")
|
||||
parser.add_argument(
|
||||
"sims_path",
|
||||
metavar="path/to/data",
|
||||
help="folder that contains simulation files, or cached data file.",
|
||||
)
|
||||
parser.add_argument(
|
||||
"-q",
|
||||
"--quiet",
|
||||
dest="quiet",
|
||||
action="store_true",
|
||||
default=False,
|
||||
help="suppress all normal output",
|
||||
)
|
||||
|
||||
args = parser.parse_args()
|
||||
|
||||
data, widths, domain = get_equilibria_data(Path(args.sims_path))
|
||||
order_data = get_ordered_energies(domain, widths)
|
||||
|
||||
fig_folder = OUTPUT_DIR / Path(f"ShrinkEnergyComparison - N{domain.n}")
|
||||
fig_folder.mkdir(exist_ok=True)
|
||||
|
||||
# Torus minimum energies used as reference.
|
||||
|
||||
# Probability of disorder diagram.
|
||||
fig, ax = plt.subplots(figsize=(16, 8))
|
||||
all_disorder_count = []
|
||||
for width in widths:
|
||||
equal_shape = list([c[1] for c in data["all"][width]])
|
||||
all_disorder_count.append(
|
||||
100 * equal_shape.count(False) / len(data["all"][width])
|
||||
)
|
||||
|
||||
ax.plot(widths, all_disorder_count)
|
||||
axis_settings(ax, widths)
|
||||
|
||||
with open("N83-prob.txt", "w") as f:
|
||||
f.write(", ".join([str(x) for x in widths]) + "\n")
|
||||
f.write(", ".join([str(x) for x in all_disorder_count]))
|
||||
|
||||
ax.yaxis.set_major_formatter(mtick.PercentFormatter())
|
||||
ax.title.set_text(f"Probability of Disorder - N{domain.n}")
|
||||
ax.set_xlabel("Width")
|
||||
ax.set_ylabel("Disordered Equilibria")
|
||||
boa_y_min = round(min(all_disorder_count) / 20) * 20 - 5
|
||||
ax.set_yticks(np.arange(boa_y_min, 100.01, 2.5))
|
||||
fig.savefig(fig_folder / "Probability of Disorder.png")
|
||||
|
||||
# Density of States diagram.
|
||||
fig, ax = plt.subplots(figsize=(16, 8))
|
||||
distinct_ordered, distinct_unordered = [], []
|
||||
for width in widths:
|
||||
equal_shape = list([c[1] for c in data["distinct"][width]])
|
||||
distinct_ordered.append(equal_shape.count(True))
|
||||
distinct_unordered.append(equal_shape.count(False))
|
||||
|
||||
ax2 = ax.twinx()
|
||||
ax.plot(widths, distinct_unordered, label="Unordered Equilibria", color="C0")
|
||||
ax2.plot(widths, distinct_ordered, label="Ordered Equilibria", color="C1")
|
||||
axis_settings(ax, widths)
|
||||
ax.title.set_text(f"Density of States - N{domain.n}")
|
||||
ax.set_xlabel("Width")
|
||||
ax.set_ylabel("Number of States (Disordered)", color="C0")
|
||||
ax2.set_ylabel("Number of States (Ordered)", color="C1")
|
||||
|
||||
dos_y_max_unorder = 1.05 * max(distinct_unordered)
|
||||
dos_y_max_order = 1.05 * max(distinct_ordered)
|
||||
ax.set_yticks(np.linspace(0, dos_y_max_unorder, 20).astype(int))
|
||||
# ax.set_yticks(np.arange(0, dos_y_max_unorder, round(dos_y_max_unorder/200, 1)*10))
|
||||
ax2.set_yticks(np.arange(0, dos_y_max_order))
|
||||
|
||||
fig.savefig(fig_folder / "Density Of States.png")
|
||||
|
||||
# Defect density diagram
|
||||
fig, ax = plt.subplots(figsize=(16, 8))
|
||||
|
||||
defects = []
|
||||
for width in widths:
|
||||
defects.append(
|
||||
sum([c[2] for c in data["all"][width] if not c[1]])
|
||||
/ len(data["all"][width])
|
||||
)
|
||||
|
||||
ax.plot(widths, defects)
|
||||
axis_settings(ax, widths)
|
||||
ax.title.set_text(f"Average Defects - N{domain.n}")
|
||||
ax.set_xlabel("Width")
|
||||
ax.set_ylabel("Defects")
|
||||
ax.set_yticks(np.arange(0, 1 + max(defects), 0.5))
|
||||
fig.savefig(fig_folder / "Defects.png")
|
||||
|
||||
# Bifurcation diagram
|
||||
fig, ax = plt.subplots(figsize=(16, 8))
|
||||
|
||||
ordered_energies, unordered_energies = [], []
|
||||
for width in widths:
|
||||
ordered_energies.append([c[0] for c in data["distinct"][width] if c[1]])
|
||||
unordered_energies.append([c[0] for c in data["distinct"][width] if not c[1]])
|
||||
|
||||
for i in range(len(order_data["min"])):
|
||||
ordered_energies[i].append(order_data["min"][i])
|
||||
ordered_energies[i].append(order_data["max"][i])
|
||||
|
||||
null_unorder = []
|
||||
for i, energies in enumerate(unordered_energies):
|
||||
if len(energies) == 0:
|
||||
null_unorder.append(i)
|
||||
energies.append(order_data["min"][i])
|
||||
|
||||
min_order = np.asarray([min(width) for width in ordered_energies])
|
||||
max_order = np.asarray([max(width) for width in ordered_energies])
|
||||
min_unorder = np.asarray([min(width) for width in unordered_energies])
|
||||
max_unorder = np.asarray([max(width) for width in unordered_energies])
|
||||
|
||||
offset = np.array(order_data["min"])
|
||||
# offset = np.array(min_order)
|
||||
|
||||
min_unorder_off = min_unorder - offset
|
||||
max_unorder_off = max_unorder - offset
|
||||
ax.plot(widths, min_order - offset, color="C1")
|
||||
# ax.plot(widths, max_order - offset, color='C1', linestyle='dotted')
|
||||
ax.plot(widths, min_unorder_off, color="C0")
|
||||
ax.plot(widths, max_unorder_off, color="C0", linestyle="dotted")
|
||||
axis_settings(ax, widths)
|
||||
|
||||
with open("N83-od.txt", "w") as f:
|
||||
f.write(", ".join([str(x) for x in widths]) + "\n")
|
||||
f.write(", ".join([str(x) for x in min_unorder_off]) + "\n")
|
||||
f.write(", ".join([str(x) for x in max_unorder_off]))
|
||||
|
||||
for i in null_unorder:
|
||||
ax.scatter(widths[i], 0, marker="X", color="blue", s=50, zorder=4)
|
||||
# ax.scatter(widths[i], max_unorder[i] - offset[i],
|
||||
# marker='X', edgecolors="blue", facecolors='none', s=100, zorder=4)
|
||||
|
||||
ax.title.set_text(f"Reduced Energy vs. Width - N{domain.n}")
|
||||
ax.set_xlabel("Width")
|
||||
ax.set_ylabel("Reduced Energy")
|
||||
bif_y_max = np.max(np.abs(np.concatenate((min_unorder_off, max_unorder_off))))
|
||||
bif_top = np.arange(
|
||||
0, bif_y_max, round(bif_y_max / 20, -math.floor(math.log10(bif_y_max / 20)))
|
||||
)
|
||||
ax.set_yticks(np.concatenate((-bif_top[1:][::-1], bif_top)))
|
||||
fig.savefig(fig_folder / "Bifurcation.png")
|
||||
|
||||
print(f"Wrote to {fig_folder}.")
|
||||
|
||||
|
||||
if __name__ == "__main__":
|
||||
os.environ["QT_LOGGING_RULES"] = "*=false"
|
||||
try:
|
||||
main()
|
||||
except KeyboardInterrupt:
|
||||
print("Program terminated by user.")
|
||||
Loading…
x
Reference in New Issue
Block a user