1 # Copyright (C) 2008-2010 Alberto Gomez-Casado
4 # Massimo Sandal <devicerandom@gmail.com>
5 # W. Trevor King <wking@drexel.edu>
7 # This file is part of Hooke.
9 # Hooke is free software: you can redistribute it and/or
10 # modify it under the terms of the GNU Lesser General Public
11 # License as published by the Free Software Foundation, either
12 # version 3 of the License, or (at your option) any later version.
14 # Hooke is distributed in the hope that it will be useful,
15 # but WITHOUT ANY WARRANTY; without even the implied warranty of
16 # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 # GNU Lesser General Public License for more details.
19 # You should have received a copy of the GNU Lesser General Public
20 # License along with Hooke. If not, see
21 # <http://www.gnu.org/licenses/>.
23 """The ``vclamp`` module provides :class:`VelocityClampPlugin` and
24 several associated :class:`hooke.command.Command`\s for handling
25 common velocity clamp analysis tasks.
28 from ..command import Command, Argument, Failure
29 from ..plugin import Builtin
38 class VelocityClampPlugin (Builtin):
40 super(VelocityClampPlugin, self).__init__(name='vclamp')
42 # NextCommand(self), PreviousCommand(self), JumpCommand(self),
45 class generalvclampCommands(object):
47 def do_subtplot(self, args):
51 Plots the difference between ret and ext current curve
55 #FIXME: sub_filter and sub_order must be args
57 if len(self.plots[0].vectors) != 2:
58 print 'This command only works on a curve with two different plots.'
61 outplot=self.subtract_curves(sub_order=1)
63 plot_graph=self.list_of_events['plot_graph']
64 wx.PostEvent(self.frame,plot_graph(plots=[outplot]))
71 def do_distance(self,args):
75 Measure the distance (in nm) between two points.
76 For a standard experiment this is the delta X distance.
77 For a force clamp experiment this is the delta Y distance (actually becomes
82 if self.current.curve.experiment == 'clamp':
83 print 'You wanted to use zpiezo perhaps?'
86 dx,unitx,dy,unity=self._delta(set=1)
87 print str(dx*(10**9))+' nm'
88 to_dump='distance '+self.current.path+' '+str(dx*(10**9))+' nm'
89 self.outlet.push(to_dump)
92 def do_force(self,args):
96 Measure the force difference (in pN) between two points
100 if self.current.curve.experiment == 'clamp':
101 print 'This command makes no sense for a force clamp experiment.'
103 dx,unitx,dy,unity=self._delta(set=1)
104 print str(dy*(10**12))+' pN'
105 to_dump='force '+self.current.path+' '+str(dy*(10**12))+' pN'
106 self.outlet.push(to_dump)
109 def do_forcebase(self,args):
113 Measures the difference in force (in pN) between a point and a baseline
114 took as the average between two points.
116 The baseline is fixed once for a given curve and different force measurements,
117 unless the user wants it to be recalculated
119 Syntax: forcebase [rebase]
120 rebase: Forces forcebase to ask again the baseline
121 max: Instead of asking for a point to measure, asks for two points and use
122 the maximum peak in between
124 rebase=False #if true=we select rebase
125 maxpoint=False #if true=we measure the maximum peak
127 plot=self._get_displayed_plot()
128 whatset=1 #fixme: for all sets
129 if 'rebase' in args or (self.basecurrent != self.current.path):
135 print 'Select baseline'
136 self.basepoints=self._measure_N_points(N=2, whatset=whatset)
137 self.basecurrent=self.current.path
140 print 'Select two points'
141 points=self._measure_N_points(N=2, whatset=whatset)
142 boundpoints=[points[0].index, points[1].index]
145 y=min(plot.vectors[whatset][1][boundpoints[0]:boundpoints[1]])
147 print 'Chosen interval not valid. Try picking it again. Did you pick the same point as begin and end of interval?'
149 print 'Select point to measure'
150 points=self._measure_N_points(N=1, whatset=whatset)
151 #whatplot=points[0].dest
152 y=points[0].graph_coords[1]
154 #fixme: code duplication
155 boundaries=[self.basepoints[0].index, self.basepoints[1].index]
157 to_average=plot.vectors[whatset][1][boundaries[0]:boundaries[1]] #y points to average
159 avg=np.mean(to_average)
161 print str(forcebase*(10**12))+' pN'
162 to_dump='forcebase '+self.current.path+' '+str(forcebase*(10**12))+' pN'
163 self.outlet.push(to_dump)
165 def plotmanip_multiplier(self, plot, current):
167 Multiplies all the Y values of an SMFS curve by a value stored in the 'force_multiplier'
168 configuration variable. Useful for calibrations and other stuff.
172 if current.curve.experiment != 'smfs':
175 #only one set is present...
176 if len(self.plots[0].vectors) != 2:
180 if (self.config['force_multiplier']==1):
183 for i in range(len(plot.vectors[0][1])):
184 plot.vectors[0][1][i]=plot.vectors[0][1][i]*self.config['force_multiplier']
186 for i in range(len(plot.vectors[1][1])):
187 plot.vectors[1][1][i]=plot.vectors[1][1][i]*self.config['force_multiplier']
192 def plotmanip_flatten(self, plot, current, customvalue=False):
194 Subtracts a polynomial fit to the non-contact part of the curve, as to flatten it.
195 the best polynomial fit is chosen among polynomials of degree 1 to n, where n is
196 given by the configuration file or by the customvalue.
198 customvalue= int (>0) --> starts the function even if config says no (default=False)
202 if current.curve.experiment != 'smfs':
205 #only one set is present...
206 if len(self.plots[0].vectors) != 2:
209 #config is not flatten, and customvalue flag is false too
210 if (not self.config['flatten']) and (not customvalue):
217 max_cycles=customvalue
219 max_cycles=self.config['flatten'] #Using > 1 usually doesn't help and can give artefacts. However, it could be useful too.
221 contact_index=self.find_contact_point()
223 valn=[[] for item in range(max_exponent)]
224 yrn=[0.0 for item in range(max_exponent)]
225 errn=[0.0 for item in range(max_exponent)]
227 #Check if we have a proper numerical value
231 #Loudly and annoyingly complain if it's not a number, then fallback to zero
232 print '''Warning: flatten value is not a number!
233 Use "set flatten" or edit hooke.conf to set it properly
237 for i in range(int(max_cycles)):
239 x_ext=plot.vectors[0][0][contact_index+delta_contact:]
240 y_ext=plot.vectors[0][1][contact_index+delta_contact:]
241 x_ret=plot.vectors[1][0][contact_index+delta_contact:]
242 y_ret=plot.vectors[1][1][contact_index+delta_contact:]
243 for exponent in range(max_exponent):
245 valn[exponent]=sp.polyfit(x_ext,y_ext,exponent)
246 yrn[exponent]=sp.polyval(valn[exponent],x_ret)
247 errn[exponent]=sp.sqrt(sum((yrn[exponent]-y_ext)**2)/float(len(y_ext)))
249 print 'Cannot flatten!'
253 best_exponent=errn.index(min(errn))
256 ycorr_ext=y_ext-yrn[best_exponent]+y_ext[0] #noncontact part
257 yjoin_ext=np.array(plot.vectors[0][1][0:contact_index+delta_contact]) #contact part
259 ycorr_ret=y_ret-yrn[best_exponent]+y_ext[0] #noncontact part
260 yjoin_ret=np.array(plot.vectors[1][1][0:contact_index+delta_contact]) #contact part
262 ycorr_ext=np.concatenate((yjoin_ext, ycorr_ext))
263 ycorr_ret=np.concatenate((yjoin_ret, ycorr_ret))
265 plot.vectors[0][1]=list(ycorr_ext)
266 plot.vectors[1][1]=list(ycorr_ret)
271 def do_slope(self,args):
275 Measures the slope of a delimited chunk on the return trace.
276 The chunk can be delimited either by two manual clicks, or have
277 a fixed width, given as an argument.
279 Syntax: slope [width]
280 The facultative [width] parameter specifies how many
281 points will be considered for the fit. If [width] is
282 specified, only one click will be required.
283 (c) Marco Brucale, Massimo Sandal 2008
286 # Reads the facultative width argument
292 # Decides between the two forms of user input, as per (args)
294 # Gets the Xs of two clicked points as indexes on the current curve vector
295 print 'Click twice to delimit chunk'
296 points=self._measure_N_points(N=2,whatset=1)
298 print 'Click once on the leftmost point of the chunk (i.e.usually the peak)'
299 points=self._measure_N_points(N=1,whatset=1)
301 slope=self._slope(points,fitspan)
303 # Outputs the relevant slope parameter
306 to_dump='slope '+self.current.path+' '+str(slope)
307 self.outlet.push(to_dump)
309 def _slope(self,points,fitspan):
310 # Calls the function linefit_between
311 parameters=[0,0,[],[]]
313 clickedpoints=[points[0].index,points[1].index]
316 clickedpoints=[points[0].index-fitspan,points[0].index]
319 parameters=self.linefit_between(clickedpoints[0],clickedpoints[1])
321 print 'Cannot fit. Did you click twice the same point?'
324 # Outputs the relevant slope parameter
326 print str(parameters[0])
327 to_dump='slope '+self.curve.path+' '+str(parameters[0])
328 self.outlet.push(to_dump)
330 # Makes a vector with the fitted parameters and sends it to the GUI
331 xtoplot=parameters[2]
335 ytoplot.append((x*parameters[0])+parameters[1])
337 clickvector_x, clickvector_y=[], []
339 clickvector_x.append(item.graph_coords[0])
340 clickvector_y.append(item.graph_coords[1])
342 lineplot=self._get_displayed_plot(0) #get topmost displayed plot
344 lineplot.add_set(xtoplot,ytoplot)
345 lineplot.add_set(clickvector_x, clickvector_y)
348 if lineplot.styles==[]:
349 lineplot.styles=[None,None,None,'scatter']
351 lineplot.styles+=[None,'scatter']
352 if lineplot.colors==[]:
353 lineplot.colors=[None,None,'black',None]
355 lineplot.colors+=['black',None]
358 self._send_plot([lineplot])
363 def linefit_between(self,index1,index2,whatset=1):
365 Creates two vectors (xtofit,ytofit) slicing out from the
366 current return trace a portion delimited by the two indexes
368 Then does a least squares linear fit on that slice.
369 Finally returns [0]=the slope, [1]=the intercept of the
370 fitted 1st grade polynomial, and [2,3]=the actual (x,y) vectors
372 (c) Marco Brucale, Massimo Sandal 2008
374 # Translates the indexes into two vectors containing the x,y data to fit
375 xtofit=self.plots[0].vectors[whatset][0][index1:index2]
376 ytofit=self.plots[0].vectors[whatset][1][index1:index2]
378 # Does the actual linear fitting (simple least squares with numpy.polyfit)
380 linefit=np.polyfit(xtofit,ytofit,1)
382 return (linefit[0],linefit[1],xtofit,ytofit)
385 def fit_interval_nm(self,start_index,plot,nm,backwards):
387 Calculates the number of points to fit, given a fit interval in nm
388 start_index: index of point
390 backwards: if true, finds a point backwards.
392 whatset=1 #FIXME: should be decidable
393 x_vect=plot.vectors[1][0]
397 start=x_vect[start_index]
399 while abs(x_vect[i]-x_vect[start_index])*(10**9) < nm:
400 if i==0 or i==maxlen-1: #we reached boundaries of vector!
412 def find_current_peaks(self,noflatten, a=True, maxpeak=True):
415 a=self.convfilt_config['mindeviation']
419 print "Bad input, using default."
420 abs_devs=self.convfilt_config['mindeviation']
422 defplot=self.current.curve.default_plots()[0]
424 flatten=self._find_plotmanip('flatten') #Extract flatten plotmanip
425 defplot=flatten(defplot, self.current, customvalue=1) #Flatten curve before feeding it to has_peaks
426 pk_location,peak_size=self.has_peaks(defplot, abs_devs, maxpeak)
427 return pk_location, peak_size
430 def pickup_contact_point(self,N=1,whatset=1):
431 '''macro to pick up the contact point by clicking'''
432 contact_point=self._measure_N_points(N=1, whatset=1)[0]
433 contact_point_index=contact_point.index
434 self.wlccontact_point=contact_point
435 self.wlccontact_index=contact_point.index
436 self.wlccurrent=self.current.path
437 return contact_point, contact_point_index
441 def baseline_points(self,peak_location, displayed_plot):
442 clicks=self.config['baseline_clicks']
445 base_index_0=peak_location[-1]+self.fit_interval_nm(peak_location[-1], displayed_plot, self.config['auto_right_baseline'],False)
446 self.basepoints.append(self._clickize(displayed_plot.vectors[1][0],displayed_plot.vectors[1][1],base_index_0))
447 base_index_1=self.basepoints[0].index+self.fit_interval_nm(self.basepoints[0].index, displayed_plot, self.config['auto_left_baseline'],False)
448 self.basepoints.append(self._clickize(displayed_plot.vectors[1][0],displayed_plot.vectors[1][1],base_index_1))
450 print 'Select baseline'
452 self.basepoints=self._measure_N_points(N=1, whatset=1)
453 base_index_1=self.basepoints[0].index+self.fit_interval_nm(self.basepoints[0].index, displayed_plot, self.config['auto_left_baseline'], False)
454 self.basepoints.append(self._clickize(displayed_plot.vectors[1][0],displayed_plot.vectors[1][1],base_index_1))
456 self.basepoints=self._measure_N_points(N=2, whatset=1)
458 self.basecurrent=self.current.path
459 return self.basepoints