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paulmuellerpaulmueller
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enh: overhaul metadata and results export
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+373
-82
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8 files changed

+373
-82
lines changed

‎CHANGELOG‎

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0.6.2
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- enh: allow to select which metadata is exported
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- fix: do not apply and fit to all before exporting metadata
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(user may have performed individual fits)
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- setup: bump nanite from 1.3.0 to 1.4.0
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0.6.1
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- build: workaround for Pyinstaller issue 4626
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0.6.0

‎pyjibe/fd/dlg_export_vals.py‎

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import pkg_resources
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from PyQt5 import uic, QtWidgets
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from . import export
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class ExportDialog(QtWidgets.QDialog):
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_instance_counter = 0
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def __init__(self, parent, fdist_list, identifier, *args, **kwargs):
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"""Base class for force-indentation analysis"""
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super(ExportDialog, self).__init__(parent=parent, *args, **kwargs)
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path_ui = pkg_resources.resource_filename("pyjibe.fd",
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"dlg_export_vals.ui")
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uic.loadUi(path_ui, self)
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self.fdist_list = fdist_list
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self.identifier = identifier
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def done(self, r):
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if r:
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fname, _e = QtWidgets.QFileDialog.getSaveFileName(
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self.parent(),
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"Save metadata and results",
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"pyjibe_export_{:03d}.tsv".format(self.identifier),
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"Tab Separated Values (*.tsv)"
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)
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if fname:
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if not fname.endswith(".tsv"):
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fname += ".tsv"
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user_choices = {
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"dataset": self.checkBox_dataset,
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"experiment": self.checkBox_experiment,
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"qmap": self.checkBox_qmap,
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"params_initial": self.checkBox_initial,
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"params_fitted": self.checkBox_fitted,
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"params_ancillary": self.checkBox_ancillary,
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"rating": self.checkBox_rating,
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}
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which = []
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for mdat in user_choices:
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if user_choices[mdat].isChecked():
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which.append(mdat)
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export.save_tsv_metadata_results(filename=fname,
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fdist_list=self.fdist_list,
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which=which)
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super(ExportDialog, self).done(r)

‎pyjibe/fd/dlg_export_vals.ui‎

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<?xml version="1.0" encoding="UTF-8"?>
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<ui version="4.0">
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<class>Dialog</class>
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<widget class="QDialog" name="Dialog">
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<property name="geometry">
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<rect>
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<x>0</x>
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<y>0</y>
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<width>400</width>
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<height>357</height>
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</rect>
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</property>
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<property name="windowTitle">
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<string>Export parameters</string>
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</property>
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<layout class="QVBoxLayout" name="verticalLayout">
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<item>
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<widget class="QLabel" name="label">
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<property name="text">
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<string>Please choose which data to export.</string>
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</property>
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</widget>
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</item>
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<item>
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<widget class="QGroupBox" name="groupBox_2">
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<property name="title">
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<string>Metadata</string>
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</property>
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<layout class="QVBoxLayout" name="verticalLayout_3">
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<item>
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<widget class="QCheckBox" name="checkBox_dataset">
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<property name="toolTip">
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<string>Path, identifier, etc.</string>
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</property>
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<property name="text">
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<string>Dataset</string>
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</property>
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<property name="checked">
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<bool>true</bool>
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</property>
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</widget>
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</item>
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<item>
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<widget class="QCheckBox" name="checkBox_experiment">
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<property name="toolTip">
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<string>Duration, spring constant, etc.</string>
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</property>
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<property name="text">
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<string>Experiment</string>
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</property>
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</widget>
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</item>
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<item>
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<widget class="QCheckBox" name="checkBox_qmap">
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<property name="toolTip">
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<string>Grid position, shape, etc. (if applicable)</string>
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</property>
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<property name="text">
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<string>QMap</string>
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</property>
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</widget>
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</item>
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</layout>
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</widget>
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</item>
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<item>
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<widget class="QGroupBox" name="groupBox">
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<property name="title">
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<string>Modeling</string>
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</property>
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<layout class="QVBoxLayout" name="verticalLayout_2">
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<item>
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<widget class="QCheckBox" name="checkBox_initial">
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<property name="text">
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<string>Initial parameters</string>
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</property>
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</widget>
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</item>
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<item>
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<widget class="QCheckBox" name="checkBox_fitted">
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<property name="text">
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<string>Fitted parameters</string>
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</property>
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<property name="checked">
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<bool>true</bool>
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</property>
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</widget>
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</item>
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<item>
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<widget class="QCheckBox" name="checkBox_ancillary">
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<property name="toolTip">
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<string>additional model parameters</string>
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</property>
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<property name="text">
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<string>Ancillary parameters</string>
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</property>
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<property name="checked">
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<bool>true</bool>
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</property>
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</widget>
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</item>
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<item>
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<widget class="QCheckBox" name="checkBox_rating">
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<property name="text">
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<string>Rating</string>
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</property>
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<property name="checked">
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<bool>true</bool>
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</property>
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</widget>
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</item>
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</layout>
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</widget>
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</item>
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<item>
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<widget class="QDialogButtonBox" name="buttonBox">
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<property name="orientation">
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<enum>Qt::Horizontal</enum>
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</property>
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<property name="standardButtons">
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<set>QDialogButtonBox::Cancel|QDialogButtonBox::Ok</set>
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</property>
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</widget>
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</item>
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</layout>
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</widget>
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<resources/>
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<connections>
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<connection>
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<sender>buttonBox</sender>
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<signal>accepted()</signal>
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<receiver>Dialog</receiver>
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<slot>accept()</slot>
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<hints>
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<hint type="sourcelabel">
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<x>248</x>
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<y>254</y>
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</hint>
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<hint type="destinationlabel">
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<x>157</x>
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<y>274</y>
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</hint>
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</hints>
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</connection>
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<connection>
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<sender>buttonBox</sender>
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<signal>rejected()</signal>
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<receiver>Dialog</receiver>
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<slot>reject()</slot>
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<hints>
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<hint type="sourcelabel">
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<x>316</x>
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<y>260</y>
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</hint>
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<hint type="destinationlabel">
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<x>286</x>
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<y>274</y>
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</hint>
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</hints>
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</connection>
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</connections>
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</ui>

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