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verification.py
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verification.py
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"""
Script to automate verification of msprime against known statistical
results and benchmark programs such as ms and Seq-Gen.
Tests are structured in a similar way to Python unittests. Tests
are organised into classes of similar tests. Ideally, each test
in the class is a simple call to a general method with
different parameters (this is called ``_run``, by convention).
Tests must be *independent* and not depend on any shared
state within the test class, other than the ``self.output_dir``
variable which is guaranteed to be set when the method is called.
The output directory is <output-dir>/<class name>/<test name>.
Each test should output one or more diagnostic plots, which have
a clear interpretation as "correct" or "incorrect". QQ-plots
are preferred, where possible. Numerical results can also be
output by using ``logging.debug()``, where appropriate; to
view these, append ``--debug`` to the comand line running
your tests.
Test classes must be a subclass of the ``Test`` class defined
in this module.
To run the tests, first get some help from the CLI:
python3 verification.py --help
This will output some basic help on the tests. Use
python3 verification.py --list
to show all the available tests.
If you run without any arguments, this will run all the tests
sequentially. The progress bar and output behaviour can be
controlled using command line parameters, and running over
multiple processes is possible.
If you wish to run a specific tests, you can provide the
test names as positional arguments, i.e.,
python3 verification.py test_msdoc_outgroup_sequence test_msdoc_recomb_ex
will just run these two specific tests.
Using the ``-c`` option allows you to run all tests in a
given class.
Gotchas:
- Any test superclasses must be abstract. That is, you cannot
inherit from a test class that contains any tests.
- Test method names must be unique across *all* classes.
"""
import argparse
import ast
import collections
import concurrent.futures
import functools
import inspect
import itertools
import json
import logging
import math
import pathlib
import pickle
import random
import subprocess
import sys
import tempfile
import warnings
import allel
import attr
import daiquiri
import dendropy
import matplotlib
import numpy as np
import pandas as pd
import pyslim
import pyvolve
import scipy.special
import scipy.stats
import seaborn as sns
import tqdm
import tskit
from matplotlib import pyplot
import msprime
import msprime.cli as cli
import msprime.pedigrees as pedigrees
from msprime.demography import _matrix_exponential
# Force matplotlib to not use any Xwindows backend.
# Note this must be done before importing statsmodels.
matplotlib.use("Agg")
import statsmodels.api as sm # noqa: E402
_mspms_executable = [sys.executable, "mspms_dev.py"]
_slim_executable = ["./data/slim"]
_ms_executable = ["./data/ms"]
_discoal_executable = ["./data/discoal"]
_scrm_executable = ["./data/scrm"]
_msms_executable = ["java", "-Xmx1G", "-jar", "data/msms.jar"]
def flatten(li):
return [x for sublist in li for x in sublist]
def harmonic_number(n):
return np.sum(1 / np.arange(1, n + 1))
def hk_f(n, z):
"""
Returns Hudson and Kaplan's f_n(z) function. This is based on the exact
value for n=2 and the approximations given in the 1985 Genetics paper.
"""
ret = 0
if n == 2:
ret = (18 + z) / (z**2 + 13 * z + 18)
else:
ret = sum(1 / j**2 for j in range(1, n)) * hk_f(2, z)
return ret
def chisquare_stat(observed, expected):
return np.sum((observed - expected) ** 2 / expected)
def get_predicted_variance(n, R):
# We import this here as it's _very_ slow to import and we
# only use it in this case.
import scipy.integrate
def g(z):
return (R - z) * hk_f(n, z)
res, err = scipy.integrate.quad(g, 0, R)
return R * harmonic_number(n - 1) + 2 * res
def write_slim_script(outfile, format_dict):
slim_str = """
// set up a simple neutral simulation
initialize()
{{
initializeTreeSeq(checkCoalescence=T);
initializeMutationRate(0);
initializeMutationType('m1', 0.5, 'f', 0.0);
// g1 genomic element type: uses m1 for all mutations
initializeGenomicElementType('g1', m1, 1.0);
// uniform chromosome
initializeGenomicElement(g1, 0, {NUM_LOCI});
// uniform recombination along the chromosome
initializeRecombinationRate({RHO});
}}
// create a population
1
{{
{POP_STRS};
sim.tag = 0;
}}
// run for set number of generations
1: late()
{{
if (sim.tag == 0) {{
if (sim.treeSeqCoalesced()) {{
sim.tag = sim.generation;
catn(sim.tag + ': COALESCED');
}}
}}
if (sim.generation == sim.tag * 10) {{
sim.simulationFinished();
catn('Ran a further ' + sim.tag * 10 + ' generations');
sim.treeSeqOutput('{OUTFILE}');
}}
}}
100000 late() {{
catn('No coalescence after 100000 generations!');
}}
"""
with open(outfile, "w") as f:
f.write(slim_str.format(**format_dict))
def write_sweep_slim_script(outfile, format_dict):
slim_str = """
initialize() {{
initializeTreeSeq();
initializeMutationRate(0);
initializeMutationType('m1', 0.5, 'f', 0.0);
initializeMutationType('m2', 0.5, 'f', {s});
initializeGenomicElementType('g1', m1, 1.0);
initializeGenomicElement(g1, 0, {NUMLOCI});
initializeRecombinationRate({r});
}}
s1 200000 late() {{
sim.treeSeqOutput('{OUTFILE}');
sim.simulationFinished();
}}
1 {{
// save this run's identifier, used to save and restore
defineConstant("simID", getSeed());
sim.addSubpop("p1", {POPSIZE});
sim.setValue("flag",0);
}}
2 late() {{
// save the state of the simulation
sim.treeSeqOutput("/tmp/slim_" + simID + ".trees");
target = sample(p1.genomes, 1);
target.addNewDrawnMutation(m2, {SWEEPPOS});
}}
2:2000 late() {{
if (sim.countOfMutationsOfType(m2) == 0)
{{
fixed = (sum(sim.substitutions.mutationType == m2) == 1);
if (fixed){{
sim.setValue("flag", sim.getValue("flag") + 1);
}}
if (fixed)
{{
if (sim.getValue("flag") == 1){{
sim.rescheduleScriptBlock(s1,
start=sim.generation+{TAU}, end=sim.generation+{TAU});
}}
}}
else
{{
sim.readFromPopulationFile("/tmp/slim_" + simID + ".trees");
setSeed(rdunif(1, 0, asInteger(2^62) - 1));
target = sample(p1.genomes, 1);
target.addNewDrawnMutation(m2, {SWEEPPOS});
}}
}}
}}
"""
with open(outfile, "w") as f:
f.write(slim_str.format(**format_dict))
def subsample_simplify_slim_treesequence(ts, sample_sizes):
tables = ts.dump_tables()
samples = set(ts.samples())
num_populations = len(set(tables.nodes.population))
assert len(sample_sizes) == num_populations
subsample = []
for i, size in enumerate(sample_sizes):
# Stride 2 to only sample one chrom per diploid SLiM individual
ss = np.where(tables.nodes.population == i)[0][::2]
ss = list(samples.intersection(ss))
ss = np.random.choice(ss, replace=False, size=size)
subsample.extend(ss)
tables.nodes.individual = None
tables.individuals.clear()
tables.simplify(subsample)
ts = tables.tree_sequence()
return ts
def plot_qq(v1, v2):
sm.graphics.qqplot(v1)
sm.qqplot_2samples(v1, v2, line="45")
def plot_stat_hist(v1, v2, v1_name, v2_name):
with warnings.catch_warnings():
warnings.simplefilter("ignore")
sns.kdeplot(v1, color="b", fill=True, label=v1_name, legend=False)
sns.kdeplot(v2, color="r", fill=True, label=v2_name, legend=False)
pyplot.legend(loc="upper right")
def plot_breakpoints_hist(v1, v2, v1_name, v2_name):
with warnings.catch_warnings():
warnings.simplefilter("ignore")
sns.kdeplot(v1, color="b", label=v1_name, fill=True, legend=False)
sns.kdeplot(v2, color="r", label=v2_name, fill=True, legend=False)
pyplot.legend(loc="upper right")
def all_breakpoints_in_replicates(replicates):
return [right for intervals in replicates for left, right in intervals]
@attr.s
class Test:
"""
The superclass of all tests. The only attribute defined is the output
directory for the test, which is guaranteed to exist when the
test method is called.
"""
output_dir = attr.ib(type=str, default=None)
def _run_sample_stats(self, args):
logging.debug(f"{' '.join(args)}")
p1 = subprocess.Popen(args, stdout=subprocess.PIPE)
p2 = subprocess.Popen(
["./data/sample_stats"], stdin=p1.stdout, stdout=subprocess.PIPE
)
p1.stdout.close()
output = p2.communicate()[0]
p1.wait()
if p1.returncode != 0:
raise ValueError("Error occured in subprocess: ", p1.returncode)
with tempfile.TemporaryFile() as f:
f.write(output)
f.seek(0)
df = pd.read_csv(f, sep="\t")
return df
def _build_filename(self, *args):
return self.output_dir / ("_".join(args[1:]) + ".png")
def _plot_stats(self, stats_type, df1, df2, df1_name, df2_name):
assert set(df1.columns.values) == set(df2.columns.values)
for stat in df1.columns.values:
v1 = df1[stat]
v2 = df2[stat]
if stat == "breakpoints":
plot_breakpoints_hist(flatten(v1), flatten(v2), df1_name, df2_name)
pyplot.xlabel("genome")
f = self._build_filename(stats_type, stat)
pyplot.savefig(f, dpi=72)
else:
plot_qq(v1, v2)
pyplot.xlabel(df1_name)
pyplot.ylabel(df2_name)
f = self._build_filename(stats_type, stat)
pyplot.savefig(f, dpi=72)
pyplot.close("all")
# Put the histograms in their own directory to avoid
# cluttering up the qqplots.
plot_stat_hist(v1, v2, df1_name, df2_name)
histdir = self.output_dir / "histograms"
histdir.mkdir(exist_ok=True)
f = histdir / f.name
pyplot.savefig(f, dpi=72)
pyplot.close("all")
def get_ms_seeds(self):
max_seed = 2**16
seeds = [random.randint(1, max_seed) for j in range(3)]
return ["-seed"] + list(map(str, seeds))
def _run_msprime_mutation_stats(self, args):
return self._run_sample_stats(
_mspms_executable + args.split() + self.get_ms_seeds()
)
class MsTest(Test):
"""
Superclass of tests that perform comparisons with ms. Provides some
infrastructure for common operations.
"""
def _deserialize_breakpoints(self, df):
breakpoints_strs = df["breakpoints"]
breakpoints = [ast.literal_eval(literal) for literal in breakpoints_strs]
df["breakpoints"] = breakpoints
return df
def _exec_coalescent_stats(self, executable, args, seeds=None):
with tempfile.TemporaryFile() as f:
argList = [executable] + args.split() + self.get_ms_seeds()
logging.debug(f"{' '.join(argList)}")
subprocess.call(argList, stdout=f)
f.seek(0)
df = pd.read_table(f)
self._deserialize_breakpoints(df)
return df
def _run_ms_coalescent_stats(self, args):
return self._exec_coalescent_stats("./data/ms_summary_stats", args)
def _run_ms_mutation_stats(self, args):
return self._run_sample_stats(
_ms_executable + args.split() + self.get_ms_seeds()
)
def _run_mutation_stats(self, args):
df_ms = self._run_ms_mutation_stats(args)
df_msp = self._run_msprime_mutation_stats(args)
self._plot_stats("mutation", df_ms, df_msp, "ms", "msp")
def _run_mspms_coalescent_stats(self, args):
logging.debug(f"mspms: {args}")
runner = cli.get_mspms_runner(args.split())
sim = runner.simulator
num_populations = sim.num_populations
replicates = runner.num_replicates
num_trees = [0 for j in range(replicates)]
time = [0 for j in range(replicates)]
ca_events = [0 for j in range(replicates)]
re_events = [0 for j in range(replicates)]
gc_events = [0 for j in range(replicates)]
mig_events = [None for j in range(replicates)]
breakpoints = [[] for j in range(replicates)]
for j in range(replicates):
sim.reset()
sim.run()
num_trees[j] = sim.num_breakpoints + 1
breakpoints[j] = sim.breakpoints
time[j] = sim.time
ca_events[j] = sim.num_common_ancestor_events
re_events[j] = sim.num_recombination_events
gc_events[j] = sim.num_gene_conversion_events
mig_events[j] = [r for row in sim.num_migration_events for r in row]
d = {
"t": time,
"num_trees": num_trees,
"ca_events": ca_events,
"re_events": re_events,
"gc_events": gc_events,
}
for j in range(num_populations**2):
events = [mig_events[k][j] for k in range(replicates)]
d[f"mig_events_{j}"] = events
d["breakpoints"] = breakpoints
df = pd.DataFrame(d)
return df
def _run_coalescent_stats(self, args):
df_msp = self._run_mspms_coalescent_stats(args)
df_ms = self._run_ms_coalescent_stats(args)
self._plot_stats("coalescent", df_msp, df_ms, "msp", "ms")
# end of tests common to MS and random
def _run_variable_recombination_coalescent_stats(self, args):
df_msp = self._run_mspms_coalescent_stats(args)
df_mshot = self._run_mshot_coalescent_stats(args)
self._plot_stats("recomb map coalescent", df_msp, df_mshot, "msp", "msHOT")
def _run_mshot_coalescent_stats(self, args):
return self._exec_coalescent_stats("./data/msHOT_summary_stats", args)
def _run(self, cmd):
self._run_coalescent_stats(cmd)
self._run_mutation_stats(cmd)
class MsDemography(MsTest):
def test_size_change_1(self):
self._run("10 10000 -t 2.0 -eN 0.1 2.0")
def test_growth_rate_change_1(self):
self._run("10 10000 -t 2.0 -eG 0.1 5.0")
def test_growth_rate_change1(self):
self._run("10 10000 -t 2.0 -eG 0.1 5.0")
def test_growth_rate_2_pops1(self):
self._run("10 10000 -t 2.0 -I 2 5 5 2.5 -G 5.0")
def test_growth_rate_2_pops2(self):
self._run("10 10000 -t 2.0 -I 2 5 5 2.5 -G 5.0 -g 1 0.1")
def test_growth_rate_2_pops3(self):
self._run("10 10000 -t 2.0 -I 2 5 5 2.5 -g 1 0.1")
def test_growth_rate_2_pops4(self):
self._run("10 10000 -t 2.0 -I 2 5 5 2.5 -eg 1.0 1 5.0")
def test_pop_size_2_pops1(self):
self._run("100 10000 -t 2.0 -I 2 50 50 2.5 -n 1 0.1")
def test_pop_size_2_pops2(self):
self._run("100 10000 -t 2.0 -I 2 50 50 2.5 -g 1 2 -n 1 0.1")
def test_pop_size_2_pops3(self):
self._run("100 10000 -t 2.0 -I 2 50 50 2.5 -eN 0.5 3.5")
def test_pop_size_2_pops4(self):
self._run("100 10000 -t 2.0 -I 2 50 50 2.5 -en 0.5 1 3.5")
def test_migration_rate_2_pops1(self):
self._run("100 10000 -t 2.0 -I 2 50 50 0 -eM 3 5")
def test_migration_matrix_2_pops1(self):
self._run("100 10000 -t 2.0 -I 2 50 50 -ma x 10 0 x")
def test_migration_matrix_2_pops2(self):
self._run("100 10000 -t 2.0 -I 2 50 50 -m 1 2 10 -m 2 1 50")
def test_migration_rate_change_2_pops1(self):
self._run("100 10000 -t 2.0 -I 2 50 50 -eM 5 10")
def test_migration_matrix_entry_change_2_pops1(self):
self._run("100 10000 -t 2.0 -I 2 50 50 -em 0.5 2 1 10")
def test_migration_matrix_change_2_pops1(self):
self._run("100 10000 -t 2.0 -I 2 50 50 -ema 10.0 2 x 10 0 x")
def migration_matrix_change_2_pops2(self):
cmd = """100 10000 -t 2.0 -I 2 50 50 -ema 1.0
2 x 0.1 0 x -eN 1.1 0.001 -ema 10 2 x 0 10 x"""
self._run(cmd)
def test_population_split_2_pops1(self):
self._run("100 10000 -t 2.0 -I 2 50 50 5.0 -ej 2.0 1 2")
def test_population_split_4_pops1(self):
self._run("100 10000 -t 2.0 -I 4 50 50 0 0 2.0 -ej 0.5 2 1")
def test_population_split_4_pops2(self):
self._run("100 10000 -t 2.0 -I 4 25 25 25 25 -ej 1 2 1 -ej 2 3 1 -ej 3 4 1")
def test_population_split_4_pops3(self):
cmd = (
"100 10000 -t 2.0 -I 4 25 25 25 25 -ej 1 2 1 "
"-em 1.5 4 1 2 -ej 2 3 1 -ej 3 4 1"
)
self._run(cmd)
def test_admixture_1_pop1(self):
self._run("1000 1000 -t 2.0 -es 0.1 1 0.5 -em 0.1 1 2 1")
def test_admixture_1_pop2(self):
self._run("1000 1000 -t 2.0 -es 0.1 1 0.1 -em 0.1 1 2 1")
def test_admixture_1_pop3(self):
self._run("1000 1000 -t 2.0 -es 0.01 1 0.1 -em 0.1 2 1 1")
def test_admixture_1_pop4(self):
self._run("1000 1000 -t 2.0 -es 0.01 1 0.1 -es 0.1 2 0 -em 0.1 3 1 1")
def test_admixture_1_pop5(self):
self._run("1000 1000 -t 2.0 -es 0.01 1 0.1 -ej 1 2 1")
def test_admixture_1_pop6(self):
self._run("1000 1000 -t 2.0 -es 0.01 1 0.0 -eg 0.02 2 5.0 ")
def test_admixture_1_pop7(self):
self._run("1000 1000 -t 2.0 -es 0.01 1 0.0 -en 0.02 2 5.0 ")
def test_admixture_2_pop1(self):
self._run("1000 1000 -t 2.0 -I 2 500 500 1 -es 0.01 1 0.1 -ej 1 3 1")
def test_admixture_2_pop2(self):
self._run("1000 1000 -t 2.0 -I 2 500 500 2 -es 0.01 1 0.75 -em 2.0 3 1 1")
def test_admixture_2_pop3(self):
self._run(
"1000 1000 -t 2.0 -I 2 500 500 2 -es 0.01 1 0.75 -G 5.0 " "-em 2.0 3 1 1"
)
def test_admixture_2_pop4(self):
cmd = (
"1000 1000 -t 2.0 -I 2 500 500 2 -es 0.01 1 0.75 "
"-eg 0.02 1 5.0 -em 0.02 3 1 1"
)
self._run(cmd)
class MsGeneConversion(MsTest):
def _run(self, cmd):
# The mutation stats are a waste of time for GC, they tell us basically
# nothing.
self._run_coalescent_stats(cmd)
def test_gene_conversion_c10_r0(self):
self._run("100 10000 -t 5.0 -r 0 2501 -c 10 1")
def test_gene_conversion_c100_tl1000_r0(self):
self._run("100 10000 -t 5.0 -r 0 2501 -c 100 1000")
def test_gene_conversion_c1000_tl_1(self):
self._run("100 10000 -t 5.0 -r 0.01 2501 -c 1000 1")
def test_gene_conversion_c1000_tl_1000(self):
self._run("100 10000 -t 5.0 -r 0.01 2501 -c 1000 1000")
def test_gene_conversion_c2_r10(self):
self._run("100 10000 -t 5.0 -r 10 2501 -c 2 1")
def test_gene_conversion_c2_tl_10_r10(self):
self._run("100 10000 -t 5.0 -r 10 2501 -c 2 10")
def test_gene_conversion_c2_tl_100(self):
self._run("100 10000 -t 5.0 -r 10 2501 -c 2 100")
def test_gene_conversion_c2_tl_100_r0(self):
self._run("100 10000 -t 5.0 -r 0 2501 -c 2 100")
def test_gene_conversion_c20_tl_1000_r0(self):
self._run("100 10000 -t 5.0 -r 0 2501 -c 20 1000")
class MsDocExamples(MsTest):
def test_msdoc_simple_ex(self):
self._run("4 20000 -t 5.0")
def test_msdoc_recomb_ex(self):
self._run("15 1000 -t 10.04 -r 100.0 2501")
def test_msdoc_structure_ex1(self):
self._run("15 1000 -t 2.0 -I 3 10 4 1 5.0")
def test_msdoc_structure_ex2(self):
self._run("15 1000 -t 2.0 -I 3 10 4 1 5.0 -m 1 2 10.0 -m 2 1 9.0")
def test_msdoc_structure_ex3(self):
self._run("15 1000 -t 10.0 -I 3 10 4 1 -ma x 1.0 2.0 3.0 x 4.0 5.0 6.0 x")
def test_msdoc_outgroup_sequence(self):
self._run("11 1000 -t 2.0 -I 2 1 10 -ej 6.0 1 2")
def test_msdoc_two_species(self):
cmd = (
"15 10000 -t 11.2 -I 2 3 12 -g 1 44.36 -n 2 "
"0.125 -eg 0.03125 1 0.0 -en 0.0625 2 0.05 -ej 0.09375 2 1"
)
self._run(cmd)
def test_msdoc_stepping_stone(self):
cmd = (
"15 10000 -t 3.0 -I 6 0 7 0 0 8 0 -m 1 2 2.5 -m 2 1 2.5 -m 2 3 2.5 "
"-m 3 2 2.5 -m 4 5 2.5 -m 5 4 2.5 -m 5 6 2.5 -m 6 5 2.5 "
"-em 2.0 3 4 2.5 -em 2.0 4 3 2.5"
)
self._run(cmd)
class MsMiscExamples(MsTest):
"""
Miscellaneous examples that have been good for finding bugs.
"""
def test_simultaneous_ex1(self):
self._run("10 10000 -t 2.0 -eN 0.3 0.5 -eG .3 7.0")
def test_zero_growth_rate(self):
self._run("10 10000 -t 2.0 -G 6.93 -eG 0.2 0.0 -eN 0.3 0.5")
def test_konrad_1(self):
cmd = (
"4 1000 -t 2508 -I 2 2 2 0 -n 2 2.59 "
"-ma x 0 1.502 x -ej 0.9485 1 2 -r 23.76 3000"
)
self._run(cmd)
def test_konrad_2(self):
cmd = (
"3 10000 -t 0.423 -I 3 1 1 1 -es 0.0786 1 0.946635 "
"-ej 0.0786 4 3 -ej 0.189256 1 2 -ej 0.483492 2 3"
)
self._run(cmd)
def test_konrad_3(self):
self._run("100 100 -t 2 -I 10 10 10 10 10 10 10 10 10 10 10 0.001 ")
class MsRandom(MsTest):
"""
Some tests made by generating random parameters.
"""
def _run(self, num_populations=1, num_replicates=1000, num_demographic_events=0):
m = random.randint(1, 1000)
r = random.uniform(0.01, 0.1) * m
theta = random.uniform(1, 100)
N = num_populations
sample_sizes = [random.randint(2, 10) for _ in range(N)]
migration_matrix = [random.random() * (j % (N + 1) != 0) for j in range(N**2)]
structure = ""
if num_populations > 1:
structure = "-I {} {} -ma {}".format(
num_populations,
" ".join(str(s) for s in sample_sizes),
" ".join(str(r) for r in migration_matrix),
)
cmd = "{} {} -t {} -r {} {} {}".format(
sum(sample_sizes), num_replicates, theta, r, m, structure
)
# Set some initial growth rates, etc.
if N == 1:
if random.random() < 0.5:
cmd += f" -G {random.random()}"
else:
cmd += f" -eN 0 {random.random()}"
# Add some demographic events
t = 0
for _ in range(num_demographic_events):
t += 0.125
if random.random() < 0.5:
cmd += f" -eG {t} {random.random()}"
else:
cmd += f" -eN {t} {random.random()}"
super()._run(cmd)
def test_ms_random_1(self):
self._run()
def test_ms_random_2(self):
self._run(num_replicates=10**4, num_demographic_events=10)
def test_ms_random_2_pops1(self):
self._run(num_populations=3)
class MsHotTest(MsTest):
def _run(self, cmd):
self._run_variable_recombination_coalescent_stats(cmd)
def test_mshotdoc_hotspot_ex(self):
self._run("10 1000 -t 10.4 -r 10.0 25000 -v 2 100 200 10 7000 8000 20")
def test_mshot_zero_recomb_interval(self):
self._run("10 1000 -t 10.4 -r 10.0 25000 -v 1 5000 13000 0")
def test_mshot_zero_recomb(self):
self._run("10 1000 -t 10.4 -r 10.0 25000 -v 1 100 25000 0")
def test_mshot_high_recomb_variants(self):
hotspots = "4 1000 2000 0 7000 8000 20 12000 15000 10 20000 22000 0"
cmd = f"10 1000 -t 10.4 -r 10.0 25000 -v {hotspots}"
self._run(cmd)
class DiscoalTest(Test):
def get_discoal_seeds(self):
max_seed = 2**16
seeds = [random.randint(1, max_seed) for j in range(3)]
return ["-d"] + list(map(str, seeds))
def _discoal_str_to_ms(self, args):
# convert discoal string to msprime string
tokens = args.split(" ")
# cut out sites param
del tokens[2]
# adjust popIDs
for i in range(len(tokens)):
# pop size change case
if tokens[i] == "-en":
tokens[i + 2] = str(int(tokens[i + 2]) + 1)
# migration rate case
if tokens[i] == "-m":
tokens[i + 1] = str(int(tokens[i + 1]) + 1)
tokens[i + 2] = str(int(tokens[i + 2]) + 1)
msp_str = " ".join(tokens)
return msp_str
def _run_discoal_mutation_stats(self, args):
return self._run_sample_stats(
_discoal_executable + args.split() + self.get_discoal_seeds()
)
def _run_mutation_discoal_stats(self, args):
msp_str = self._discoal_str_to_ms(args)
df_msp = self._run_msprime_mutation_stats(msp_str)
df_d = self._run_sample_stats(
_discoal_executable + args.split() + self.get_discoal_seeds()
)
self._plot_stats("mutation", df_d, df_msp, "discoal", "msp")
def _discoal_str_to_simulation(self, args):
# takes discoal command line as input
# and returns msprime run treeseqs
tokens = args.split(" ")
# positional args
sample_size = int(tokens[0])
nreps = int(tokens[1])
seq_length = int(tokens[2])
# parse discoal command line for params
# init ones we definitely need for comparison
theta = rho = alpha = sweep_site = sweep_mod_time = None
refsize = 1e6
for i in range(3, len(tokens)):
# pop size change case
if tokens[i] == "-en":
raise ValueError(
"sweeps with population size changes remain unimplemented"
)
# migration rate case
if (tokens[i] == "-m") or (tokens[i] == "-p"):
raise ValueError(
"sweeps with multiple populations remain unimplemented"
)
# split or admixture case
if (tokens[i] == "-ea") or (tokens[i] == "-ed"):
raise ValueError("sweeps with splits or admixture not supported")
# sweep params
if tokens[i] == "-x":
sweep_site = float(tokens[i + 1])
if (tokens[i] == "-ws") or (tokens[i] == "-wd") or (tokens[i] == "-wn"):
sweep_mod_time = float(tokens[i + 1])
if tokens[i] == "-a":
alpha = float(tokens[i + 1])
if tokens[i] == "-N":
refsize = float(tokens[i + 1])
# coalescent params
if tokens[i] == "-t":
theta = float(tokens[i + 1])
if tokens[i] == "-r":
rho = float(tokens[i + 1])
mod_list = []
if alpha is not None:
# sweep model
s = alpha / (2 * refsize)
mod = msprime.SweepGenicSelection(
position=np.floor(sweep_site * seq_length),
start_frequency=1.0 / (2 * refsize),
end_frequency=1.0 - (1.0 / (2 * refsize)),
s=s * 2, # discoal fitness model is 1, 1+s, 1+2s
dt=1e-6,
)
mod_list.append(msprime.StandardCoalescent(duration=sweep_mod_time))
mod_list.append(mod)
# if an event is defined from discoal line
# best thing to do is rescale to Ne=0.25
# so that time scale are consistent
# see note at msprime/cli.py line 626
# and following for alternate solution
if sweep_mod_time > 0:
refsize = 0.25
mod.s = alpha / refsize
# append final model
mod_list.append("hudson")
# scale theta and rho
recomb_rate = rho / (4 * refsize * (seq_length - 1))
mu = theta / (4 * refsize * seq_length)
replicates = msprime.sim_ancestry(
[msprime.SampleSet(sample_size, ploidy=1)],
population_size=refsize,
model=mod_list,
recombination_rate=recomb_rate,
sequence_length=seq_length,
discrete_genome=False,
num_replicates=nreps,
)
mutate = functools.partial(
msprime.sim_mutations, discrete_genome=False, rate=mu
)
return map(mutate, replicates)
class DiscoalCompatibility(DiscoalTest):
"""
Basic tests to make sure that we have correctly set up the
discoal interface.
"""
def _run(self, cmd):
self._run_mutation_discoal_stats(cmd)
def test_discoal_simple_ex(self):
self._run("15 1000 100 -t 5.0")
def test_discoal_size_change1(self):
self._run("10 10000 100 -t 10.0 -en 0.1 0 2.0")
def test_discoal_size_change2(self):
self._run("10 10000 100 -t 10.0 -en 0.1 0 0.1")
def test_discoal_size_change3(self):
self._run("10 10000 100 -t 10.0 -en 0.01 0 0.01")
def test_discoal_size_change4(self):
self._run("10 10000 100 -t 10.0 -en 0.01 0 0.5 -en 0.05 0 1.0")
# TODO we need to fix this test and to add a good number of examples.
class DiscoalSweeps(DiscoalTest):
"""
Compare the result of sweeps in msprime and discoal.
"""
def _run(self, args):
df = pd.DataFrame()
data = collections.defaultdict(list)
replicates = self._discoal_str_to_simulation(args)
for ts in replicates:
data["pi"].append(ts.diversity(span_normalise=False))
data["D"].append(ts.Tajimas_D())
data["ss"].append(ts.segregating_sites(span_normalise=False))
data["pi"] = np.array(data["pi"]).flatten()
data["D"] = np.array(data["D"]).flatten()
data["ss"] = np.array(data["ss"]).flatten()
df = pd.DataFrame.from_dict(data)
df = df.fillna(0)
df_d = self._run_discoal_mutation_stats(args)
df_df = df_d[["pi", "D", "ss"]]
logging.debug(f"msp pi mean: {df['pi'].mean()}")
logging.debug(f"discoal pi mean: {df_df['pi'].mean()}")
logging.debug(f"msp ss mean: {df['ss'].mean()}")
logging.debug(f"discoal ss mean: {df_df['ss'].mean()}")
logging.debug(f"msp D mean: {df['D'].mean()}")
logging.debug(f"discoal D mean: {df_df['D'].mean()}")
logging.debug(f"sample sizes msp: {len(df['pi'])} discoal: {len(df_df['pi'])}")
self._plot_stats("mutation", df, df_df, "msp", "discoal")
def test_sweep_ex0(self):
cmd = "10 1000 10000 -t 10.0 -r 10.0"
self._run(cmd)
def test_sweep_no_rec_ex1(self):
cmd = "10 1000 10000 -t 10.0 -r 0.0 -ws 0 -a 100 -x 0.5 -N 10000"
self._run(cmd)
def test_sweep_no_rec_ex2(self):
cmd = "100 1000 10000 -t 10.0 -r 0.0 -ws 0 -a 200 -x 0.5 -N 10000"
self._run(cmd)
def test_sweep_rec_ex1(self):
cmd = "10 1000 10000 -t 10.0 -r 10.0 -ws 0 -a 1000 -x 0.5 -N 10000"
self._run(cmd)
def test_sweep_rec_ex2(self):
cmd = "10 1000 10000 -t 10.0 -r 20.0 -ws 0 -a 1000 -x 0.5 -N 10000"
self._run(cmd)
def test_sweep_rec_ex3(self):
cmd = "10 1000 10000 -t 10.0 -r 100.0 -ws 0 -a 1000 -x 0.5 -N 10000"
self._run(cmd)
def test_sweep_rec_ex4(self):
cmd = "10 1000 10000 -t 10.0 -r 400.0 -ws 0 -a 2000 -x 0.5 -N 10000"
self._run(cmd)
def test_sweep_rec_ex5(self):
cmd = "10 1000 10000 -t 100.0 -r 100.0 -ws 0 -a 250 -x 0.5 -N 10000"
self._run(cmd)
def test_sweep_tau_ex1(self):
cmd = "10 1000 10000 -t 10.0 -r 20.0 -ws 0.001 -a 250 -x 0.5 -N 10000"
self._run(cmd)
def test_sweep_tau_ex2(self):
cmd = "10 1000 10000 -t 10.0 -r 20.0 -ws 0.01 -a 250 -x 0.5 -N 10000"
self._run(cmd)
def test_sweep_tau_ex3(self):
cmd = "10 1000 10000 -t 10.0 -r 20.0 -ws 1.0 -a 250 -x 0.5 -N 10000"
self._run(cmd)
def sample_recap_simplify(slim_ts, sample_size, Ne, r, mu):
"""
takes a ts from slim and samples, recaps, simplifies
"""
demography = msprime.Demography.from_tree_sequence(slim_ts)
demography[1].initial_size = Ne
with warnings.catch_warnings():
warnings.simplefilter(
"ignore", category=msprime.IncompletePopulationMetadataWarning
)
recap = msprime.sim_ancestry(
initial_state=slim_ts,
demography=demography,
recombination_rate=r,
# TODO is this needed now? Shouldn't be, right?
start_time=slim_ts.metadata["SLiM"]["generation"],
)
logging.debug(f"pyslim: slim generation:{slim_ts.metadata['SLiM']['generation']}")
alive_inds = pyslim.individuals_alive_at(recap, 0)
keep_indivs = np.random.choice(alive_inds, sample_size, replace=False)
keep_nodes = []
for i in keep_indivs:
keep_nodes.extend(recap.individual(i).nodes)
logging.debug(f"before simplify {recap.num_nodes} nodes")
sts = recap.simplify(keep_nodes)
logging.debug(f"after simplify {sts.num_nodes} nodes")
logging.debug(f"after simplify {sts.num_trees} trees")
return msprime.mutate(sts, rate=mu)
class SweepVsSlim(Test):
"""
Tests where we compare the msprime sweeps with SLiM simulations.
"""
def run_sweep_slim_comparison(self, slim_args, **kwargs):
df_list = []
kwargs["model"] = "msp"
logging.debug(f"Running: {kwargs}")
seq_length = kwargs.get("seq_length")
pop_size = kwargs.get("pop_size")
s = kwargs.get("s")
tau = kwargs.get("tau")
sample_size = kwargs.get("sample_size")
recombination_rate = kwargs.get("recombination_rate")
num_replicates = kwargs.get("num_replicates")
sweep = msprime.SweepGenicSelection(
position=seq_length / 2,
start_frequency=1.0 / (2 * pop_size),