# RepTate: Rheology of Entangled Polymers: Toolkit for the Analysis of Theory and Experiments
# --------------------------------------------------------------------------------------------------------
#
# Authors:
# Jorge Ramirez, jorge.ramirez@upm.es
# Victor Boudara, victor.boudara@gmail.com
#
# Useful links:
# http://blogs.upm.es/compsoftmatter/software/reptate/
# https://github.com/jorge-ramirez-upm/RepTate
# http://reptate.readthedocs.io
#
# --------------------------------------------------------------------------------------------------------
#
# Copyright (2017-2023): Jorge Ramirez, Victor Boudara, Universidad Politécnica de Madrid, University of Leeds
#
# This file is part of RepTate.
#
# RepTate is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# RepTate is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with RepTate. If not, see <http://www.gnu.org/licenses/>.
#
# --------------------------------------------------------------------------------------------------------
"""Module ApplicationMWD
Module for handling Molecular weight distributions from GPC experiments.
"""
from RepTate.gui.QApplicationWindow import QApplicationWindow
from RepTate.core.View import View
from RepTate.core.FileType import TXTColumnFile
import numpy as np
[docs]
class ApplicationMWD(QApplicationWindow):
"""Application to analyze Molecular Weight Distributions"""
appname = "MWD"
description = "Experimental Molecular weight distributions"
extension = "gpc"
html_help_file = "http://reptate.readthedocs.io/manual/Applications/MWD/MWD.html"
def __init__(self, name="MWD", parent=None):
"""**Constructor**"""
from RepTate.theories.TheoryDiscrMWD import TheoryDiscrMWD
from RepTate.theories.TheoryGEX import TheoryGEX
from RepTate.theories.TheoryLogNormal import TheoryLogNormal
super().__init__(name, parent, nplot_max=3)
# VIEWS
self.views["log-lin"] = View(
name="log-lin",
description="MWD lin W vs log M",
x_label="M",
y_label="dW/dlogM",
x_units="g/mol",
y_units="-",
log_x=True,
log_y=False,
view_proc=self.view_WM,
n=1,
snames=["W"],
)
self.views["log-log"] = View(
name="log-log",
description="MWD log W vs log M",
x_label="log(M)",
y_label="log(dW/dlogM)",
x_units="g/mol",
y_units="-",
log_x=False,
log_y=False,
view_proc=self.view_logWM,
n=1,
snames=["log(W)"],
)
self.views["lin-lin"] = View(
name="lin-lin",
description="MWD lin W vs lin M",
x_label="M",
y_label="dW/dlogM",
x_units="g/mol",
y_units="-",
log_x=False,
log_y=False,
view_proc=self.view_WM,
n=1,
snames=["W"],
)
# set multiviews
self.nplots = 1
self.multiviews = []
for i in range(self.nplot_max):
# set views in the same order as declared above
self.multiviews.append(list(self.views.values())[i])
self.multiplots.reorg_fig(self.nplots)
# FILES
ftype = TXTColumnFile(
"GPC Files",
"gpc",
"Molecular Weight Distribution",
["M", "W(logM)"],
["Mn", "Mw", "PDI"],
["g/mol", "-"],
)
# ftype=TXTColumnFile("GPC Files", "gpc", "Molecular Weight Distribution", ['M','W(logM)'], [], ['kDa', '-'])
self.filetypes[ftype.extension] = ftype
ftype = TXTColumnFile(
"React Files",
"reac",
"Relaxation modulus",
["M", "W(logM)", "g", "br/1000C"],
["Mn", "Mw", "PDI"],
["g/mol", "-"],
)
self.filetypes[ftype.extension] = ftype
# THEORIES
self.theories[TheoryDiscrMWD.thname] = TheoryDiscrMWD
self.theories[TheoryGEX.thname] = TheoryGEX
self.theories[TheoryLogNormal.thname] = TheoryLogNormal
self.add_common_theories()
# set the current view
self.set_views()
[docs]
def view_WM(self, dt, file_parameters):
""":math:`W(M)` vs :math:`M`
"""
x = np.zeros((dt.num_rows, 1))
y = np.zeros((dt.num_rows, 1))
x[:, 0] = dt.data[:, 0]
y[:, 0] = dt.data[:, 1]
return x, y, True
[docs]
def view_logWM(self, dt, file_parameters):
""":math:`\\log(W(M))` vs :math:`\\log(M)`
"""
x = np.zeros((dt.num_rows, 1))
y = np.zeros((dt.num_rows, 1))
x[:, 0] = np.log10(dt.data[:, 0])
y[:, 0] = np.log10(dt.data[:, 1])
return x, y, True
