Source code for bumps.cli

"""
Bumps command line interface.

The functions in this module are used by the bumps command to implement
the command line interface.  Bumps plugin models can use them to create
stand alone applications with a similar interface.  For example, the
Refl1D application uses the following::

    from . import fitplugin
    import bumps.cli
    bumps.cli.set_mplconfig(appdatadir='Refl1D')
    bumps.cli.install_plugin(fitplugin)
    bumps.cli.main()

After completing a set of fits on related systems, a post-analysis script
can use :func:`load_model` to load the problem definition and
:func:`load_best` to load the best value  found in the fit.  This can
be used for example in experiment design, where you look at the expected
parameter uncertainty when fitting simulated data from a range of experimental
systems.
"""
from __future__ import with_statement, print_function

__all__ = ["main", "install_plugin", "set_mplconfig", "config_matplotlib",
           "load_model", "preview", "load_best", "save_best", "resynth"]

import sys
import os
import re
import warnings
import traceback

import shutil

import numpy as np
# np.seterr(all="raise")

from . import fitters
from .fitters import FitDriver, StepMonitor, ConsoleMonitor, CheckpointMonitor, nllf_scale
from .mapper import MPMapper, AMQPMapper, MPIMapper, SerialMapper
from .formatnum import format_uncertainty
from . import util
from . import initpop
from . import __version__
from . import plugin
from . import options

from .util import pushdir, push_python_path


[docs] def install_plugin(p): """ Replace symbols in :mod:`bumps.plugin` with application specific methods. """ for symbol in plugin.__all__: if hasattr(p, symbol): setattr(plugin, symbol, getattr(p, symbol))
[docs] def load_model(path, model_options=None): """ Load a model file. *path* contains the path to the model file. *model_options* are any additional arguments to the model. The sys.argv variable will be set such that *sys.argv[1:] == model_options*. """ from .fitproblem import load_problem # Change to the target path before loading model so that data files # can be given as relative paths in the model file. Add the directory # to the python path (at the end) so that imports work as expected. directory, filename = os.path.split(path) with pushdir(directory): # Try a specialized model loader problem = plugin.load_model(filename) if problem is None: # print "loading",filename,"from",directory # TODO: eliminate pickle!! if filename.endswith('pickle'): try: import dill as pickle except ImportError: import pickle # First see if it is a pickle with open(filename, 'rb') as fd: problem = pickle.load(fd) else: # Then see if it is a python model script problem = load_problem(filename, options=model_options) # Guard against the user changing parameters after defining the problem. problem.model_reset() problem.path = os.path.abspath(path) if not hasattr(problem, 'title'): problem.title = filename problem.name, _ = os.path.splitext(filename) problem.options = model_options return problem
[docs] def preview(problem, view=None): """ Show the problem plots and parameters. """ import pylab problem.show() problem.plot(view=view) pylab.show()
[docs] def save_best(fitdriver, problem, best, view=None): """ Save the fit data, including parameter values, uncertainties and plots. *fitdriver* is the fitter that was used to drive the fit. *problem* is a FitProblem instance. *best* is the parameter set to save. """ # Make sure the problem contains the best value # TODO: avoid recalculating if problem is already at best. problem.setp(best) # print "remembering best" pardata = "".join("%s %.15g\n" % (name, value) for name, value in zip(problem.labels(), problem.getp())) open(problem.output_path + ".par", 'wt').write(pardata) fitdriver.save(problem.output_path) with util.redirect_console(problem.output_path + ".err"): fitdriver.show() fitdriver.plot(output_path=problem.output_path, view=view) fitdriver.show()
# print "plotting" PARS_PATTERN = re.compile(r"^(?P<label>.*) (?P<value>[^ ]*)\n$")
[docs] def load_best(problem, path): """ Reload individual parameter values from a saved .par file. If the label does not exist in the file, use the value from the model as the default value. Ignore labels that do not exist in the model. In that way we can load parameters from an old fit with minimal fuss, even as we add, delete and move parameters in the model. If any parameters are missing, set *problem.undefined* to the a boolean index of the undefined parameters. There is an interaction with --init=eps and the par file. If any parameters are missing from the par file they will be randomized across the entire parameter range using the equivalent of --init=lhs. That means you can drop a # at the beginning of the line in the .par file and that parameter will be shuffled on restart, with the remaining parameters starting near the initial value. """ # WARNING: Labels are not unique! Need to track multiple instances of # the same label. if not os.path.isfile(path): path = os.path.join(path, problem.name+".par") if not os.path.isfile(path): raise ValueError("Parameter file %s does not exist." % path) labels = problem.labels() targets = {label: [] for label in labels} with open(path, 'rt') as fid: for line in fid: m = PARS_PATTERN.match(line) label, value = m.group('label'), float(m.group('value')) # Accumulate values for labels only if they appear in the model. if label in targets: targets[label].append(value) # Populate model with named parameters in the order they occur in the # parameter file. Identify the missing parameters if any, adding them # to the the problem definition as an optional "undefined" attribute with # one bit for each parameter. This ugly hack is to support a previous # ugly hack in which undefined parameters are initialized with LHS but # defined parameters are initialized with eps, cov or random. # TODO: find a better way to "free" parameters on --pars. # TODO: find a way to "free" parameters on --resume. values, undefined = [], [] for label, default_value in zip(labels, problem.getp()): remaining = targets[label] is_empty = not remaining # popping the next value from remaining modifies targets[label] values.append(default_value if is_empty else remaining.pop(0)) undefined.append(is_empty) problem.setp(np.asarray(values)) if any(undefined): problem.undefined = np.asarray(undefined)
#CRUFT recall_best = load_best def store_overwrite_query_gui(path): """ Ask if store path should be overwritten. Use this in a call to :func:`make_store` from a graphical user interface. """ import wx msg = path + " already exists. Press 'yes' to overwrite, or 'No' to abort and restart with newpath" msg_dlg = wx.MessageDialog(None, msg, 'Overwrite Directory', wx.YES_NO | wx.ICON_QUESTION) retCode = msg_dlg.ShowModal() msg_dlg.Destroy() if retCode != wx.ID_YES: raise RuntimeError("Could not create path") def store_overwrite_query(path): """ Ask if store path should be overwritten. Use this in a call to :func:`make_store` from a command line interface. """ print(path, "already exists.") print( "Press 'y' to overwrite, or 'n' to abort and restart with --overwrite, --resume, or --store=newpath") ans = input("Overwrite [y/n]? ") if ans not in ("y", "Y", "yes"): sys.exit(1) def make_store(problem, opts, exists_handler): """ Create the store directory and populate it with the model definition file. """ # Determine if command line override if opts.store: problem.store = opts.store if getattr(problem, 'store', None) is None: raise RuntimeError( "Need to specify '--store=path' on command line" " or problem.store='path' in definition file.") problem.output_path = os.path.join(problem.store, problem.name) # Check if already exists store_exists = os.path.exists(problem.output_path + '.par') if not opts.overwrite and opts.resume is None and store_exists: if opts.batch: print( problem.store + " already exists. Restart with --overwrite, --resume, or --store=newpath", file=sys.stderr) sys.exit(1) exists_handler(problem.output_path) # Create it and copy model if not os.path.exists(problem.store): os.mkdir(problem.store) shutil.copy2(problem.path, problem.store) def run_profiler(problem, steps): """ Model execution profiler. Run the program with "--profiler --steps=N" to generate a function profile chart breaking down the cost of evaluating N models. """ # Here is the findings from one profiling session:: # 23 ms total # 6 ms rendering model # 8 ms abeles # 4 ms convolution # 1 ms setting parameters and computing nllf from .util import profile p = initpop.random_init( int(steps), initial=None, bounds=None, use_point=False,problem=problem) # Note: map is an iterator in python 3 profile(lambda *args: list(map(*args)), problem.nllf, p) def run_timer(mapper, problem, steps): """ Model execution timer. Run the program with "--timer --steps=N" to determine the average run time of the model. If --parallel is included, then the model will be run in parallel on separate cores. """ import time T0 = time.time() steps = int(steps) p = initpop.generate( problem, init='random', pop=-steps, use_point=False) if p.shape == (0,): # No fitting parameters --- generate an empty population p = np.empty((steps, 0)) mapper(p) print("time per model eval: %g ms" % (1000 * (time.time() - T0) / steps,)) def start_remote_fit(problem, options, queue, notify): """ Queue remote fit. """ from jobqueue.client import connect try: from dill import dumps as dill_dumps dumps = lambda obj: dill_dumps(obj, recurse=True) except ImportError: from pickle import dumps data = dict(package='bumps', version=__version__, problem=dumps(problem), options=dumps(options)) request = dict(service='fitter', version=__version__, # fitter service version notify=notify, name=problem.title, data=data) server = connect(queue) job = server.submit(request) return job # ==== Main ==== def initial_model(opts): """ Load and initialize the model. *opts* are the processed command line options. If --pars is in opts, then load the parameters from a .par file. If --simulate is in opts, then generate random data from the model. If --simrandom is in opts, then generate random data from a random model. If --shake is in opts, then use a random initial state for the fit. """ if opts.seed is not None: np.random.seed(opts.seed) if opts.args: problem = load_model(opts.args[0], opts.args[1:]) if opts.pars is not None: load_best(problem, opts.pars) if opts.simrandom: problem.randomize() if opts.simulate or opts.simrandom: noise = None if opts.noise == "data" else float(opts.noise) problem.simulate_data(noise=noise) print("simulation parameters") print(problem.summarize()) print("chisq at simulation", problem.chisq_str()) if opts.shake: problem.randomize() else: problem = None return problem
[docs] def resynth(fitdriver, problem, mapper, opts): """ Generate maximum likelihood fits to resynthesized data sets. *fitdriver* is a :class:`bumps.fitters.FitDriver` object with a fitter already chosen. *problem* is a :func:`bumps.fitproblem.FitProblem` object. It should be initialized with optimal values for the parameters. *mapper* is one of the available :mod:`bumps.mapper` classes. *opts* is a :class:`bumps.options.BumpsOpts` object representing the command line parameters. """ make_store(problem, opts, exists_handler=store_overwrite_query) fid = open(problem.output_path + ".rsy", 'at') fitdriver.mapper = mapper.start_mapper(problem, opts.args) for i in range(opts.resynth): problem.resynth_data() best, fbest = fitdriver.fit() scale, err = nllf_scale(problem) print("step %d chisq %g" % (i, scale * fbest)) fid.write('%.15g ' % (scale * fbest)) fid.write(' '.join('%.15g' % v for v in best)) fid.write('\n') problem.restore_data() fid.close()
[docs] def set_mplconfig(appdatadir): r""" Point the matplotlib config dir to %LOCALAPPDATA%\{appdatadir}\mplconfig. """ if hasattr(sys, 'frozen'): if os.name == 'nt': mplconfigdir = os.path.join( os.environ['LOCALAPPDATA'], appdatadir, 'mplconfig') elif sys.platform == 'darwin': mplconfigdir = os.path.join( os.path.expanduser('~/Library/Caches'), appdatadir, 'mplconfig') else: return # do nothing on linux mplconfigdir = os.environ.setdefault('MPLCONFIGDIR', mplconfigdir) if not os.path.exists(mplconfigdir): os.makedirs(mplconfigdir)
[docs] def config_matplotlib(backend=None): """ Setup matplotlib to use a particular backend. The backend should be 'WXAgg' for interactive use, or 'Agg' for batch. This distinction allows us to run in environments such as cluster computers which do not have wx installed on the compute nodes. This function must be called before any imports to pylab. To allow this, modules should not import pylab at the module level, but instead import it for each function/method that uses it. Exceptions can be made for modules which are completely dedicated to plotting, but these modules should never be imported at the module level. """ import matplotlib as mpl # When running from a frozen environment created by py2exe, we will not # have a range of backends available, and must set the default to WXAgg. # With a full matplotlib distribution we can use whatever the user prefers. if hasattr(sys, 'frozen'): if 'MPLCONFIGDIR' not in os.environ: raise RuntimeError( r"MPLCONFIGDIR should be set to e.g., %LOCALAPPDATA%\YourApp\mplconfig") if backend is None: backend = 'WXAgg' ## CRUFT: check that backend is valid, trying alternates if an import fails #if backend is None: # backend = os.environ.get('MPLBACKEND', mpl.rcParams['backend']) #import importlib #for name in (backend, 'MacOSX', 'Qt5Agg', 'Qt4Agg', 'Gtk3Agg', 'TkAgg', 'WXAgg'): # path = 'matplotlib.backends.backend_' + name.lower() # try: # importlib.import_module(path) # backend = name # break # except ImportError: # backend = None # Specify the backend to use for plotting and import backend dependent # classes. This must be done before importing pyplot to have an # effect. If no backend is given, let pyplot use the default. if backend is not None: mpl.use(backend) # Disable interactive mode so that plots are only updated on show() or # draw(). The interactive function must be called before importing pyplot, # otherwise it will have no effect. mpl.interactive(False) #configure the plot style line_width = 1 pad = 2 font_family = 'Arial' if os.name == 'nt' else 'sans-serif' font_size = 12 plot_style = { 'xtick.direction': 'in', 'ytick.direction': 'in', 'lines.linewidth': line_width, 'axes.linewidth': line_width, 'xtick.labelsize': font_size, 'ytick.labelsize': font_size, 'xtick.major.size': 5, 'ytick.major.size': 5, 'xtick.minor.size': 2.5, 'ytick.minor.size': 2.5, 'xtick.major.width': line_width, 'ytick.major.width': line_width, 'xtick.minor.width': line_width, 'ytick.minor.width': line_width, 'xtick.major.pad': pad, 'ytick.major.pad': pad, 'xtick.top': True, 'ytick.right': True, 'font.size': font_size, 'font.family': font_family, 'svg.fonttype': 'none', 'savefig.dpi': 100, } mpl.rcParams.update(plot_style)
def beep(): """ Audio signal that fit is complete. """ if sys.platform == "win32": try: import winsound winsound.MessageBeep(winsound.MB_OK) except Exception: pass else: print("\a", file=sys.__stdout__) def run_command(c): """ Run an arbitrary python command. """ exec(c, globals()) def setup_logging(): """Start logger""" import logging logging.basicConfig(level=logging.INFO) # From http://stackoverflow.com/questions/22373927/get-traceback-of-warnings # answered by mgab (2014-03-13) # edited by Gareth Rees (2015-11-28) def warn_with_traceback(message, category, filename, lineno, file=None, line=None): """ Alternate warning printer which shows a traceback with the warning. To use, set *warnings.showwarning = warn_with_traceback*. """ traceback.print_stack() log = file if hasattr(file, 'write') else sys.stderr log.write(warnings.formatwarning(message, category, filename, lineno, line))
[docs] def main(): """ Run the bumps program with the command line interface. Input parameters are taken from sys.argv. """ # add full traceback to warnings #warnings.showwarning = warn_with_traceback if len(sys.argv) == 1: sys.argv.append("-?") # run command with bumps in the environment if sys.argv[1] == '-m': import runpy sys.argv = sys.argv[2:] runpy.run_module(sys.argv[0], run_name="__main__") sys.exit(0) elif sys.argv[1] == '-p': import runpy sys.argv = sys.argv[2:] runpy.run_path(sys.argv[0], run_name="__main__") sys.exit() elif sys.argv[1] == '-c': run_command(sys.argv[2]) sys.exit() elif sys.argv[1] == '-i': sys.argv = ["ipython", "--pylab"] from IPython import start_ipython sys.exit(start_ipython()) opts = options.getopts() setup_logging() if opts.edit: from .gui.gui_app import main as gui gui() return # Set up the matplotlib backend to minimize the wx/gui dependency. # If no GUI specified and not editing, then use the default mpl # backend for the python version. if opts.batch or opts.remote or opts.noshow: # no interactivity config_matplotlib(backend='agg') else: # let preview use default graphs config_matplotlib() problem = initial_model(opts) if problem is None: print("\n!!! Model file missing from command line --- abort !!!.", file=sys.stderr) sys.exit(1) # TODO: AMQP mapper as implemented requires workers started up with # the particular problem; need to be able to transport the problem # to the worker instead. Until that happens, the GUI shouldn't use # the AMQP mapper. if opts.mpi: MPIMapper.start_worker(problem) mapper = MPIMapper elif opts.parallel != "" or opts.worker: if opts.transport == 'amqp': mapper = AMQPMapper elif opts.transport == 'mp': mapper = MPMapper elif opts.transport == 'celery': mapper = CeleryMapper else: raise ValueError("unknown mapper") else: mapper = SerialMapper if opts.worker: mapper.start_worker(problem) return if np.isfinite(float(opts.time)): import time start_time = time.time() stop_time = start_time + float(opts.time)*3600 abort_test = lambda: time.time() >= stop_time else: abort_test = lambda: False fitdriver = FitDriver( opts.fit_config.selected_fitter, problem=problem, abort_test=abort_test, **opts.fit_config.selected_values) # Start fitter within the domain so that constraints are valid clipped = fitdriver.clip() if clipped: print("Start value clipped to range for parameter", ", ".join(clipped)) if opts.time_model: run_timer(mapper.start_mapper(problem, opts.args), problem, steps=int(opts.steps)) elif opts.profile: run_profiler(problem, steps=int(opts.steps)) elif opts.chisq: if opts.cov: fitdriver.show_cov() print("chisq", problem.chisq_str()) #import pprint; pprint.pprint(problem.to_dict(), indent=2, width=272) elif opts.preview: if opts.cov: fitdriver.show_cov() preview(problem, view=opts.view) elif opts.resynth > 0: resynth(fitdriver, problem, mapper, opts) elif opts.remote: # Check that problem runs before submitting it remotely # TODO: this may fail if problem requires remote resources such as GPU print("initial chisq:", problem.chisq_str()) job = start_remote_fit(problem, opts, queue=opts.queue, notify=opts.notify) print("remote job:", job['id']) else: # Show command line arguments and initial model print("#", " ".join(sys.argv), "--seed=%d"%opts.seed) problem.show() # Check that there are parameters to be fitted. if not len(problem.getp()): print("\n!!! No parameters selected for fitting---abort !!!\n", file=sys.stderr) sys.exit(1) # Run the fit if opts.resume == '-': opts.resume = opts.store if os.path.exists(opts.store) else None if opts.resume: resume_path = os.path.join(opts.resume, problem.name) else: resume_path = None make_store(problem, opts, exists_handler=store_overwrite_query) # Redirect sys.stdout to capture progress if opts.batch: sys.stdout = open(problem.output_path + ".mon", "w") # TODO: fix techical debt with checkpoint monitor implementation # * The current checkpoint implementation is self-referential: # checkpoint = lambda: save_best(fitdriver, ...) # fitdriver.monitors = [..., CheckpointMonitor(checkpoint), ...] # It is done this way because the checkpoint monitor needs the fitter # so it can ask it to save state, but the fitter needs the list of # monitors, including the checkpoint monitor, before it is run. # * Figures are cumulative, with each checkpoint adding a new set # * Figures are slow! Can they go into a separate thread? Can we # have the problem cache the best value? checkpoint_time = float(opts.checkpoint)*3600 def checkpoint(history): problem = fitdriver.problem ## Use the following to save only the fitter state fitdriver.fitter.save(problem.output_path) ## Use the following to save the fitter state plus all other ## plots and other output files. This won't work yet since ## plots are generated sequentially, with each checkpoint producing ## a completely new set of plots. #best = history.point[0] #save_best(fitdriver, problem, best, view=opts.view) monitors = [ConsoleMonitor(problem)] if checkpoint_time > 0 and np.isfinite(checkpoint_time): mon = CheckpointMonitor(checkpoint, progress=checkpoint_time) monitors.append(mon) if opts.stepmon: fid = open(problem.output_path + '.log', 'w') mon = StepMonitor(problem, fid, fields=['step', 'value']) monitors.append(mon) fitdriver.monitors = monitors #import time; t0=time.clock() cpus = int(opts.parallel) if opts.parallel != "" else 0 fitdriver.mapper = mapper.start_mapper(problem, opts.args, cpus=cpus) best, fbest = fitdriver.fit(resume=resume_path) # print("time=%g"%(time.clock()-t0),file=sys.__stdout__) # Note: keep this in sync with the checkpoint function above save_best(fitdriver, problem, best, view=opts.view) if opts.err or opts.cov: fitdriver.show_err() if opts.cov: fitdriver.show_cov() if opts.entropy: fitdriver.show_entropy(opts.entropy) mapper.stop_mapper(fitdriver.mapper) # If in batch mode then explicitly close the monitor file on completion if opts.batch: sys.stdout.close() sys.stdout = sys.__stdout__ # Display the plots if not opts.batch and not opts.mpi and not opts.noshow: beep() import pylab pylab.show()
# Allow "$python -m bumps.cli args" calling pattern if __name__ == "__main__": main()