I'm making an script to automatically create plots from .xvg files,
but there's a problem when I'm trying to use pylab's savefig() method.
Using pylab.show() and saving from there, everything's fine.
Using pylab.show()
Using pylab.savefig()
def producePlot(timestep, energy_values,type_line = 'r', jump = 1,finish = 100):
fc = sp.interp1d(timestep[::jump], energy_values[::jump],kind='cubic')
xnew = numpy.linspace(0, finish, finish*2)
pylab.plot(xnew, fc(xnew),type_line)
pylab.xlabel('Time in ps ')
pylab.ylabel('kJ/mol')
pylab.xlim(xmin=0, xmax=finish)
def produceSimplePlot(timestep, energy_values,type_line = 'r', jump = 1,finish = 100):
pylab.plot(timestep, energy_values,type_line)
pylab.xlabel('Time in ps ')
pylab.ylabel('kJ/mol')
pylab.xlim(xmin=0, xmax=finish)
def linearRegression(timestep, energy_values, type_line = 'g'): #, jump = 1,finish = 100):
from scipy import stats
import numpy
#print 'fuck'
timestep = numpy.asarray(timestep)
slope, intercept, r_value, p_value, std_err = stats.linregress(timestep,energy_values)
line = slope*timestep+intercept
pylab.plot(timestep, line, type_line)
def plottingTime(Title,file_name, timestep, energy_values ,loc, jump , finish):
pylab.title(Title)
producePlot(timestep,energy_values, 'b',jump, finish)
linearRegression(timestep,energy_values)
import numpy
Average = numpy.average(energy_values)
#print Average
pylab.legend(("Average = %.2f" %(Average),'Linear Reg'),loc)
#pylab.show()
pylab.savefig('%s.jpg' %file_name[:-4], bbox_inches= None, pad_inches=0)
#if __name__ == '__main__':
#plottingTime(Title,timestep1, energy_values, jump =10, finish = 4800)
def specialCase(Title,file_name, timestep, energy_values,loc, jump, finish):
#print 'Working here ...?'
pylab.title(Title)
producePlot(timestep,energy_values, 'b',jump, finish)
import numpy
from pylab import *
Average = numpy.average(energy_values)
#print Average
pylab.legend(("Average = %.2g" %(Average), Title),loc)
locs,labels = yticks()
yticks(locs, map(lambda x: "%.3g" % x, locs))
#pylab.show()
pylab.savefig('%s.jpg' %file_name[:-4] , bbox_inches= None, pad_inches=0)
Thanks in advance,
John
