# 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 ApplicationSANS
Module for the analysis of data from SANS 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 ApplicationSANS(QApplicationWindow):
"""Application to Analyze Data from SANS experiments"""
appname = "SANS"
description = "Small Angle Neutron Scattering Experiments"
extension = "sans"
html_help_file = "http://reptate.readthedocs.io/manual/Applications/SANS/SANS.html"
def __init__(self, name="SANS", parent=None):
"""**Constructor**"""
from RepTate.theories.TheoryDebye import TheoryDebye
super().__init__(name, parent)
# VIEWS
self.views["log(I(q))"] = View(
name="log(I(q))",
description="log Intensity",
x_label="log(q)",
y_label="log(I)",
x_units=r"$\mathrm{\AA}^{-1}$",
y_units="-",
log_x=False,
log_y=False,
view_proc=self.viewLogSANS,
n=1,
snames=["log(I)"],
)
self.views["I(q)"] = View(
name="I(q)",
description="Intensity",
x_label="q",
y_label="I",
x_units=r"$\mathrm{\AA}^{-1}$",
y_units="-",
log_x=False,
log_y=False,
view_proc=self.viewSANS,
n=1,
snames=["I"],
)
self.views["Zimm"] = View(
name="Zimm",
description="Zimm plot (1/I(q) vs q^2)",
x_label=r"$\mathrm{q}^2$",
y_label="1/I",
x_units=r"$\mathrm{\AA}^{-2}$",
y_units="-",
log_x=False,
log_y=False,
view_proc=self.viewZimm,
n=1,
snames=["1/I"],
)
self.views["Kratky"] = View(
name="Kratky",
description="Kratky plot (q^2*I(q) vs q)",
x_label="q",
y_label=r"$\mathrm{q}^2\cdot \mathrm{I}$",
x_units=r"$\mathrm{\AA}^{-1}$",
y_units=r"$\mathrm{\AA}^{-2}$",
log_x=False,
log_y=False,
view_proc=self.viewKratky,
n=1,
snames=["q2*I"],
)
# 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(
"SANS files",
"sans",
"SANS files",
["q", "I(q)"],
["Mw", "Phi"],
["1/A", "-"],
)
self.filetypes[ftype.extension] = ftype
# THEORIES
self.theories[TheoryDebye.thname] = TheoryDebye
self.add_common_theories()
# set the current view
self.set_views()
[docs]
def viewLogSANS(self, dt, file_parameters):
"""Logarithm of the scattered intensity :math:`\\log (I(q))` vs the logarithm of the scattering vector :math:`\\log(q)`"""
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(np.abs(dt.data[:, 1]))
return x, y, True
[docs]
def viewSANS(self, dt, file_parameters):
"""Scattered intensity :math:`I(q)` vs scattering vector :math:`q` (both axes in logarithmic scale)"""
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 viewKratky(self, dt, file_parameters):
"""Kratky plot: :math:`q^2\\cdot I(q)` vs :math:`q`"""
x = np.zeros((dt.num_rows, 1))
y = np.zeros((dt.num_rows, 1))
x[:, 0] = dt.data[:, 0]
y[:, 0] = dt.data[:, 0] * dt.data[:, 0] * dt.data[:, 1]
return x, y, True
[docs]
def viewZimm(self, dt, file_parameters):
"""Zimm plot: :math:`I(q)^{-1}` vs :math:`q^2`"""
x = np.zeros((dt.num_rows, 1))
y = np.zeros((dt.num_rows, 1))
x[:, 0] = dt.data[:, 0] * dt.data[:, 0]
y[:, 0] = 1.0 / dt.data[:, 1]
return x, y, True
