1 # -*- coding: utf-8 -*-
3 # Copyright (C) 2008-2010 Alberto Gomez-Casado
5 # Massimo Sandal <devicerandom@gmail.com>
6 # W. Trevor King <wking@drexel.edu>
8 # This file is part of Hooke.
10 # Hooke is free software: you can redistribute it and/or modify it
11 # under the terms of the GNU Lesser General Public License as
12 # published by the Free Software Foundation, either version 3 of the
13 # License, or (at your option) any later version.
15 # Hooke is distributed in the hope that it will be useful, but WITHOUT
16 # ANY WARRANTY; without even the implied warranty of MERCHANTABILITY
17 # or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General
18 # Public License for more details.
20 # You should have received a copy of the GNU Lesser General Public
21 # License along with Hooke. If not, see
22 # <http://www.gnu.org/licenses/>.
24 """The ``flatfilt`` module provides :class:`FlatFiltPlugin` and
25 several associated :class:`~hooke.command.Command`\s for removing flat
26 (featureless) :mod:`~hooke.curve.Curve`\s from
27 :class:`~hooke.playlist.Playlist`\s.
31 :mod:`~hooke.plugin.convfilt` for a convolution-based filter for
32 :class:`~hooke.experiment.VelocityClamp` experiments.
36 from Queue import Queue
38 from numpy import absolute, diff
39 from scipy.signal.signaltools import medfilt
41 from ..command import Argument, Success, Failure, UncaughtException
42 from ..config import Setting
43 from ..curve import Data
44 from ..experiment import VelocityClamp
45 from ..util.fit import PoorFit
46 from ..util.peak import (find_peaks, peaks_to_mask,
47 find_peaks_arguments, Peak, _kwargs)
48 from ..util.si import join_data_label, split_data_label
49 from . import Plugin, argument_to_setting
50 from .curve import ColumnAddingCommand
51 from .playlist import FilterCommand
54 class FlatFiltPlugin (Plugin):
55 """Standard-devitiation-based peak recognition and filtering.
58 super(FlatFiltPlugin, self).__init__(name='flatfilt')
59 self._arguments = [ # For Command initialization
60 Argument('median window', type='int', default=7, help="""
61 Median window filter size (in points).
63 Argument('blind window', type='float', default=20e-9, help="""
64 Meters after the contact point where we do not count peaks to avoid
65 non-specific surface interaction.
67 Argument('min peaks', type='int', default=4, help="""
68 Minimum number of peaks for curve acceptance.
70 ] + copy.deepcopy(find_peaks_arguments)
71 # Set flat-filter-specific defaults for the fit_peak_arguments.
72 for key,value in [('cut side', 'both'),
75 ('min deviations', 9.0),
77 ('see double', 10), # TODO: points vs. meters. 10e-9),
79 argument = [a for a in self._arguments if a.name == key][0]
80 argument.default = value
82 Setting(section=self.setting_section, help=self.__doc__)]
83 for argument in self._arguments:
84 self._settings.append(argument_to_setting(
85 self.setting_section, argument))
86 argument.default = None # if argument isn't given, use the config.
87 self._commands = [FlatPeaksCommand(self)]
88 # append FlatFilterCommand so it can steal arguments from
90 self._commands.append(FlatFilterCommand(self))
92 def dependencies(self):
95 def default_settings(self):
99 class FlatPeaksCommand (ColumnAddingCommand):
100 """Detect peaks in velocity clamp data using noise statistics.
104 Noise analysis on the retraction curve:
106 1) A median window filter (using
107 :func:`scipy.signal.signaltools.medfilt`) smooths the
109 2) The deflection derivative is calculated (using
110 :func:`numpy.diff` which uses forward differencing).
111 3) Peaks in the derivative curve are extracted with
112 :func:`~hooke.plugins.peak.find_peaks`.
114 The algorithm was originally Francesco Musiani's idea.
116 def __init__(self, plugin):
117 plugin_arguments = [a for a in plugin._arguments
118 if a.name != 'min peaks']
119 # Drop min peaks, since we're not filtering with this
120 # function, just detecting peaks.
121 super(FlatPeaksCommand, self).__init__(
122 name='flat filter peaks',
124 ('distance column', 'surface distance (m)', """
125 Name of the column to use as the surface position input.
127 ('deflection column', 'surface deflection (m)', """
128 Name of the column to use as the deflection input.
132 ('output peak column', 'flat filter peaks', """
133 Name of the column (without units) to use as the peak output.
137 Argument(name='peak info name', type='string',
138 default='flat filter peaks',
140 Name (without units) for storing the list of peaks in the `.info`
143 ] + plugin_arguments,
144 help=self.__doc__, plugin=plugin)
146 def _run(self, hooke, inqueue, outqueue, params):
147 self._add_to_command_stack(params)
148 params = self.__setup_params(hooke=hooke, params=params)
149 block = self._block(hooke=hooke, params=params)
150 dist_data = self._get_column(hooke=hooke, params=params,
151 column_name='distance column')
152 def_data = self._get_column(hooke=hooke, params=params,
153 column_name='deflection column')
154 start_index = absolute(dist_data-params['blind window']).argmin()
155 median = medfilt(def_data[start_index:], params['median window'])
157 peaks = find_peaks(deriv, **_kwargs(params, find_peaks_arguments,
158 argument_input_keys=True))
159 for i,peak in enumerate(peaks):
160 peak.name = self._peak_name(params, i)
161 peak.index += start_index
162 block.info[params['peak info name']] = peaks
164 self._set_column(hooke=hooke, params=params,
165 column_name='output peak column',
166 values=peaks_to_mask(def_data, peaks) * def_data)
169 def __setup_params(self, hooke, params):
170 """Setup `params` from config and return the z piezo and
173 curve = self._curve(hooke=hooke, params=params)
174 if curve.info['experiment'] != VelocityClamp:
175 raise Failure('%s operates on VelocityClamp experiments, not %s'
176 % (self.name, curve.info['experiment']))
177 for key,value in params.items():
178 if value == None and key in self.plugin.config:
179 # Use configured default value.
180 params[key] = self.plugin.config[key]
181 # TODO: convert 'see double' from nm to points
182 name,def_unit = split_data_label(params['deflection column'])
183 params['output peak column'] = join_data_label(
184 params['output peak column'], def_unit)
185 params['peak info name'] = join_data_label(
186 params['peak info name'], def_unit)
189 def _peak_name(self, params, index):
190 d_name,d_unit = split_data_label(params['deflection column'])
191 return 'flat filter peak %d of %s' % (index, d_name)
194 class FlatFilterCommand (FilterCommand):
195 u"""Create a subset playlist of curves with enough flat peaks.
199 This type of filter is of course very raw, and requires relatively
200 conservative settings to safely avoid false negatives (that is, to
201 avoid discarding interesting curves). Using it on the protein
202 unfolding experiments described by Sandal [#sandal2008] it has
203 been found to reduce the data set to analyze by hand by 60-80%.
205 .. [#sandal2008] M. Sandal, F. Valle, I. Tessari, S. Mammi, E. Bergantino,
206 F. Musiani, M. Brucale, L. Bubacco, B. Samorì.
207 "Conformational equilibria in monomeric α-Synuclein at the
208 single molecule level."
210 doi: `10.1371/journal.pbio.0060006 <http://dx.doi.org/10.1371/journal.pbio.0060006>`_
214 FlatPeaksCommand : Underlying flat-based peak detection.
216 def __init__(self, plugin):
217 flat_peaks = [c for c in plugin._commands
218 if c.name == 'flat filter peaks'][0]
219 flat_peaks_arg_names = [a.name for a in flat_peaks.arguments]
220 plugin_arguments = [a for a in plugin._arguments
221 if a.name not in flat_peaks_arg_names]
222 arguments = flat_peaks.arguments + plugin_arguments
223 super(FlatFilterCommand, self).__init__(
224 plugin, name='flat filter playlist')
225 self.arguments.extend(arguments)
227 def filter(self, curve, hooke, inqueue, outqueue, params):
228 params['curve'] = curve
231 filt_command = [c for c in hooke.commands
232 if c.name=='flat filter peaks'][0]
233 filt_command.run(hooke, inq, outq, **params)
235 if isinstance(peaks, UncaughtException) \
236 and isinstance(peaks.exception, PoorFit):
238 if not (isinstance(peaks, list) and (len(peaks) == 0
239 or isinstance(peaks[0], Peak))):
240 raise Failure('Expected a list of Peaks, not %s: %s'
241 % (type(peaks), peaks))
243 if not isinstance(ret, Success):
245 if params['min peaks'] == None: # Use configured default value.
246 params['min peaks'] = self.plugin.config['min peaks']
247 return len(peaks) >= int(params['min peaks'])