advisor-scattering 0.5.0__py3-none-any.whl

advisor/resources/data/nacl.cif

@@ -0,0 +1,111 @@
+#------------------------------------------------------------------------------
+#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
+#$Revision: 176768 $
+#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/40/2104025.cif $
+#------------------------------------------------------------------------------
+#
+# This file is available in the Crystallography Open Database (COD),
+# http://www.crystallography.net/. The original data for this entry
+# were provided by IUCr Journals, http://journals.iucr.org/.
+#
+# The file may be used within the scientific community so long as
+# proper attribution is given to the journal article from which the
+# data were obtained.
+#
+data_2104025
+loop_
+_publ_author_name
+'Shiraki, Koichi'
+'Tsuchiya, Taku'
+'Ono, Shigeaki'
+_publ_section_title
+;
+ Structural refinements of high-pressure phases in germanium dioxide
+;
+_journal_issue                   6
+_journal_name_full               'Acta Crystallographica Section B'
+_journal_page_first              701
+_journal_page_last               708
+_journal_paper_doi               10.1107/S0108768103021761
+_journal_volume                  59
+_journal_year                    2003
+_chemical_formula_sum            'Cl Na'
+_chemical_formula_weight         58.44247
+_chemical_name_systematic        ' sodium chloride'
+_space_group_IT_number           221
+_symmetry_cell_setting           cubic
+_symmetry_space_group_name_Hall  '-P 4 2 3'
+_symmetry_space_group_name_H-M   'P m -3 m'
+_cell_angle_alpha                90.0
+_cell_angle_beta                 90.0
+_cell_angle_gamma                90.0
+_cell_formula_units_Z            1
+_cell_length_a                   2.8600(3)
+_cell_length_b                   2.8600(3)
+_cell_length_c                   2.8600(3)
+_cell_volume                     23.394(4)
+_cod_data_source_file            ws0004.cif
+_cod_data_source_block           II_phase_2
+_cod_original_cell_volume        23.393(4)
+_cod_database_code               2104025
+loop_
+_symmetry_equiv_pos_site_id
+_symmetry_equiv_pos_as_xyz
+1 x,y,z
+2 -x,-y,z
+3 -x,y,-z
+4 x,-y,-z
+5 z,x,y
+6 z,-x,-y
+7 -z,-x,y
+8 -z,x,-y
+9 y,z,x
+10 -y,z,-x
+11 y,-z,-x
+12 -y,-z,x
+13 y,x,-z
+14 -y,-x,-z
+15 y,-x,z
+16 -y,x,z
+17 x,z,-y
+18 -x,z,y
+19 -x,-z,-y
+20 x,-z,y
+21 z,y,-x
+22 z,-y,x
+23 -z,y,x
+24 -z,-y,-x
+25 -x,-y,-z
+26 x,y,-z
+27 x,-y,z
+28 -x,y,z
+29 -z,-x,-y
+30 -z,x,y
+31 z,x,-y
+32 z,-x,y
+33 -y,-z,-x
+34 y,-z,x
+35 -y,z,x
+36 y,z,-x
+37 -y,-x,z
+38 y,x,z
+39 -y,x,-z
+40 y,-x,-z
+41 -x,-z,y
+42 x,-z,-y
+43 x,z,y
+44 -x,z,-y
+45 -z,-y,x
+46 -z,y,-x
+47 z,-y,-x
+48 z,y,x
+loop_
+_atom_site_label
+_atom_site_fract_x
+_atom_site_fract_y
+_atom_site_fract_z
+_atom_site_thermal_displace_type
+_atom_site_occupancy
+_atom_site_type_symbol
+Na1 0.0 0.0 0.0 Biso 1.0 Na
+Cl1 0.5 0.5 0.5 Biso 1.0 Cl

advisor/resources/icons/minus.svg

@@ -0,0 +1,3 @@
+<svg xmlns="http://www.w3.org/2000/svg" width="12" height="12" viewBox="0 0 12 12">
+  <polygon points="6,9 9,3 3,3" fill="#666666"/>
+</svg>

advisor/resources/icons/plus.svg

@@ -0,0 +1,3 @@
+<svg xmlns="http://www.w3.org/2000/svg" width="12" height="12" viewBox="0 0 12 12">
+  <polygon points="6,3 9,9 3,9" fill="#666666"/>
+</svg>

advisor/resources/icons.qrc

@@ -0,0 +1,6 @@
+<RCC>
+  <qresource prefix="/">
+    <file>icons/plus.svg</file>
+    <file>icons/minus.svg</file>
+  </qresource>
+</RCC>

advisor/resources/qss/styles.qss

@@ -0,0 +1,348 @@
+/* Main application styles */
+
+QMainWindow {
+    background-color: #F5F5F5;
+}
+
+QTabWidget::pane {
+    border: 1px solid #C4C4C4;
+    background-color: #FFFFFF;
+}
+
+QTabBar::tab {
+    background-color:rgb(233, 233, 233);
+    border: 1px solid #C4C4C4;
+    border-bottom: none;
+    min-width: 100px;
+    padding: 6px 12px;
+    font-weight: bold;
+}
+
+QTabBar::tab:selected {
+    background-color: #FFFFFF;
+}
+
+QTabBar::tab:hover:!selected {
+    background-color: #EFEFEF;
+}
+
+/* Form elements */
+QLineEdit, QComboBox {
+    border: 1px solid #C4C4C4;
+    border-radius: 3px;
+    padding: 4px;
+    padding-right: 12x;
+    min-height: 24px;
+    background-color: #FFFFFF;
+}
+
+QLineEdit:focus, QSpinBox:focus, QDoubleSpinBox:focus, QComboBox:focus {
+    border: 1px solid #3D7AAF;
+}
+
+QLineEdit:disabled, QSpinBox:disabled, QDoubleSpinBox:disabled, QComboBox:disabled {
+    background-color: #F5F5F5;
+    color: #9E9E9E;
+    border: 1px solid #E0E0E0;
+}
+
+QPushButton {
+    border: 1px solid #C4C4C4;
+    border-radius: 3px;
+    padding: 6px 12px;
+    background-color: #F0F0F0;
+    min-height: 28px;
+}
+
+QPushButton:hover {
+    background-color: #E6E6E6;
+}
+
+QPushButton:pressed {
+    background-color: #D6D6D6;
+}
+
+QPushButton:disabled {
+    color: #888888;
+    background-color: #F8F8F8;
+}
+
+/* QDoubleSpinBox with plus/minus signs */
+QDoubleSpinBox, QSpinBox{
+    border: 1px solid #C4C4C4;
+    border-radius: 3px;
+    padding: 4px;
+    padding-right: 20px;
+    min-height: 24px;
+    background-color: #FFFFFF;
+}
+
+QDoubleSpinBox::up-button, QDoubleSpinBox::down-button, QSpinBox::up-button, QSpinBox::down-button {
+    subcontrol-origin: border;
+    width: 18px;
+    border-left: 1px solid #C4C4C4;
+    background-color: #F0F0F0;
+}
+
+QDoubleSpinBox::up-button, QSpinBox::up-button{
+    subcontrol-position: top right;
+}
+
+QDoubleSpinBox::down-button, QSpinBox::down-button {
+    subcontrol-position: bottom right;
+}
+
+QDoubleSpinBox::up-button:hover, QDoubleSpinBox::down-button:hover, QSpinBox::up-button:hover, QSpinBox::down-button:hover {
+    background-color: #E6E6E6;
+}
+
+QDoubleSpinBox::up-button:pressed, QDoubleSpinBox::down-button:pressed, QSpinBox::up-button:pressed, QSpinBox::down-button:pressed {
+    background-color: #D6D6D6;
+}
+
+QDoubleSpinBox::up-arrow, QDoubleSpinBox::down-arrow, QSpinBox::up-arrow, QSpinBox::down-arrow {
+    width: 12px;
+    height: 12px;
+}
+
+QDoubleSpinBox::up-arrow, QSpinBox::up-arrow {
+    image: url(:/icons/plus.svg);
+}
+
+QDoubleSpinBox::down-arrow, QSpinBox::down-arrow {
+    image: url(:/icons/minus.svg);
+}
+
+
+/* Toggle button styles */
+QPushButton[text="De-activate"] {
+    min-width: 100px;
+    background-color: #FFFFFF;  /* White background */
+    color: #757575;  /* Dark gray text */
+    border: 1px solid #E0E0E0;  /* Light gray border */
+}
+
+QPushButton[text="De-activate"]:checked {
+    background-color: #FFEBEE;  /* Very light red background */
+    color: #C62828;  /* Darker red text */
+    border: 1px solid #FFCDD2;  /* Light red border */
+}
+
+QPushButton[text="De-activate"]:hover {
+    background-color: #F5F5F5;  /* Slightly darker white on hover */
+    border: 1px solid #BDBDBD;  /* Slightly darker gray border on hover */
+}
+
+QPushButton[text="De-activate"]:checked:hover {
+    background-color: #FFCDD2;  /* Slightly darker light red on hover */
+    border: 1px solid #EF9A9A;  /* Slightly darker light red border on hover */
+}
+
+QPushButton[text="De-activate"]:pressed {
+    background-color: #EEEEEE;  /* Even darker white when pressed */
+    border: 1px solid #9E9E9E;  /* Even darker gray border when pressed */
+}
+
+QPushButton[text="De-activate"]:checked:pressed {
+    background-color: #EF9A9A;  /* Even darker light red when pressed */
+    border: 1px solid #E57373;  /* Even darker light red border when pressed */
+}
+
+/* Group boxes and panels */
+QGroupBox {
+    border: 1px solid #CCCCCC;
+    border-radius: 5px;
+    margin-top: 10px;
+    font-weight: bold;
+}
+
+QGroupBox::title {
+    subcontrol-origin: margin;
+    subcontrol-position: top left;
+    left: 10px;
+    padding: 0 3px;
+}
+
+/* Status bar */
+QStatusBar {
+    background-color: #F0F0F0;
+    color: #333333;
+}
+
+/* Tooltips */
+QToolTip {
+    border: 1px solid #CCCCCC;
+    background-color: #FFFFCC;
+    color: #333333;
+    padding: 3px;
+}
+
+/* Parameter Panel Styles */
+QFrame#parameterPanel {
+    background-color: #f8f9fa;
+    border: 1px solid #c0c0c0;
+    border-radius: 8px;
+    margin: 2px;
+}
+
+QLabel#parameterMainTitle {
+    color: #2c3e50;
+    font-family: Arial;
+    font-size: 22px;
+    font-weight: bold;
+    margin-bottom: 10px;
+}
+
+QLabel#parameterSectionTitle {
+    color: #34495e;
+    font-family: Arial;
+    font-size: 14px;
+    font-weight: bold;
+    margin-top: 5px;
+    margin-bottom: 2px;
+}
+
+QLabel#parameterText {
+    color: #5d6d7e;
+    font-family: Arial;
+    font-size: 13px;
+    margin-left: 15px;
+    line-height: 1.3;
+}
+
+QPushButton#editParametersButton {
+    background-color: #F0F0F0;
+    color: #333333;
+    border: 1px solid #C4C4C4;
+    border-radius: 3px;
+    font-size: 13px;
+    padding: 6px;
+}
+
+QPushButton#editParametersButton:hover {
+    background-color: #E6E6E6;
+}
+
+QPushButton#editParametersButton:pressed {
+    background-color: #D6D6D6;
+}
+
+/* Pastel Calculate Button Styles */
+QPushButton#calculateButton {
+    background-color: #a8d0f0;
+    color: #2c5282;
+    border-radius: 3px;
+    padding: 8px 16px;
+    font-weight: bold;
+    font-size: 12px;
+}
+
+QPushButton#calculateButton:hover {
+    background-color: #bdd9f3;
+}
+
+QPushButton#calculateButton:pressed {
+    background-color: #8bc5ea;
+}
+
+QPushButton#calculateButton:disabled {
+    background-color: #e6e6e6;
+    color: #999999;
+}
+
+/* Unified Pastel Calculate HKL Button */
+QPushButton#calculateHKLButton {
+    background-color: #a8d0f0;
+    color: #2c5282;
+    border-radius: 3px;
+    padding: 8px 16px;
+    font-weight: bold;
+    font-size: 12px;
+}
+
+QPushButton#calculateHKLButton:hover {
+    background-color: #bdd9f3;
+}
+
+QPushButton#calculateHKLButton:pressed {
+    background-color: #8bc5ea;
+}
+
+QPushButton#calculateHKLButton:disabled {
+    background-color: #e6e6e6;
+    color: #999999;
+}
+
+/* Small Clear Button Styles */
+QPushButton#clearButton {
+    background-color: #f5f5f5;
+    color: #666666;
+    border: 1px solid #cccccc;
+    border-radius: 4px;
+    padding: 4px 8px;
+    font-size: 10px;
+    max-height: 24px;
+}
+
+QPushButton#clearButton:hover {
+    background-color: #ff6b6b;
+    color: white;
+    border: 1px solid #ee5a52;
+}
+
+QPushButton#clearButton:pressed {
+    background-color: #ee5a52;
+    border: 1px solid #e04848;
+}
+
+/* Pastel Toggle Button Styles - Fix χ/φ and Plane Selection */
+QPushButton[class="activeToggle"] {
+    background-color: #a8e6c1; /* Pastel green - same hue as #2ecc71 but softer */
+    color: #2d5a3d; /* Darker green text for better contrast */
+    border: 1px solid #FFFFFF;
+    border-radius: 3px;
+    padding: 3px 6px;
+    font-weight: bold;
+    font-size: 12px;
+}
+
+QPushButton[class="activeToggle"]:hover {
+    background-color: #9de0b7; /* Slightly darker on hover */
+    border: 1px solid #85cf9e;
+}
+
+QPushButton[class="activeToggle"]:pressed {
+    background-color: #92dab0; /* Even darker when pressed */
+    border: 1px solid #7bc994;
+}
+
+QPushButton[class="inactiveToggle"] {
+    background-color: #e8eaec; /* Pastel gray - same hue as #bdc3c7 but softer */
+    color: #5a6270; /* Darker gray text for better contrast */
+    border: 1px solid #FFFFFF;
+    border-radius: 3px;
+    padding: 3px 6px;
+    font-size: 12px;
+}
+
+QPushButton[class="inactiveToggle"]:hover {
+    background-color: #dde1e5; /* Slightly darker on hover */
+    border: 1px solid #c9cfd5;
+}
+
+QPushButton[class="inactiveToggle"]:pressed {
+    background-color: #d2d8de; /* Even darker when pressed */
+    border: 1px solid #bec6ce;
+}
+
+
+/* HKL Results Table Styling */
+QTableWidgetItem[feasible="True"] {
+    background-color: #ffffff;  /* White background for feasible solutions */
+    color: #333333;
+}
+
+QTableWidgetItem[feasible="False"] {
+    background-color: #a62d2d;  /* Red background for infeasible solutions */
+    color: #333333;
+}

advisor/resources/resources_rc.py

@@ -0,0 +1,83 @@
+# -*- coding: utf-8 -*-
+
+# Resource object code
+#
+# Created by: The Resource Compiler for PyQt5 (Qt v5.15.14)
+#
+# WARNING! All changes made in this file will be lost!
+
+from PyQt5 import QtCore
+
+qt_resource_data = b"\
+\x00\x00\x00\x8c\
+\x3c\
+\x73\x76\x67\x20\x78\x6d\x6c\x6e\x73\x3d\x22\x68\x74\x74\x70\x3a\
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+\x22\x2f\x3e\x0a\x3c\x2f\x73\x76\x67\x3e\x0a\
+"
+
+qt_resource_name = b"\
+\x00\x05\
+\x00\x6f\xa6\x53\
+\x00\x69\
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+\x00\x69\x00\x6e\x00\x75\x00\x73\x00\x2e\x00\x73\x00\x76\x00\x67\
+"
+
+qt_resource_struct_v1 = b"\
+\x00\x00\x00\x00\x00\x02\x00\x00\x00\x01\x00\x00\x00\x01\
+\x00\x00\x00\x00\x00\x02\x00\x00\x00\x02\x00\x00\x00\x02\
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+\x00\x00\x00\x26\x00\x00\x00\x00\x00\x01\x00\x00\x00\x90\
+"
+
+qt_resource_struct_v2 = b"\
+\x00\x00\x00\x00\x00\x02\x00\x00\x00\x01\x00\x00\x00\x01\
+\x00\x00\x00\x00\x00\x00\x00\x00\
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+\x00\x00\x01\x9a\xdf\x60\xb4\x0f\
+"
+
+qt_version = [int(v) for v in QtCore.qVersion().split('.')]
+if qt_version < [5, 8, 0]:
+    rcc_version = 1
+    qt_resource_struct = qt_resource_struct_v1
+else:
+    rcc_version = 2
+    qt_resource_struct = qt_resource_struct_v2
+
+def qInitResources():
+    QtCore.qRegisterResourceData(rcc_version, qt_resource_struct, qt_resource_name, qt_resource_data)
+
+def qCleanupResources():
+    QtCore.qUnregisterResourceData(rcc_version, qt_resource_struct, qt_resource_name, qt_resource_data)
+
+qInitResources()

advisor/ui/__init__.py

@@ -0,0 +1,7 @@
+"""UI layer for the toolbox."""
+
+from .main_window import MainWindow
+from .tab_interface import TabInterface
+from .tips import Tips, set_tip
+
+__all__ = ["MainWindow", "TabInterface", "Tips", "set_tip"]