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0001 <?xml version="1.0" encoding="UTF-8"?> 0002 <ui version="4.0"> 0003 <class>MolcalcWidgetBase</class> 0004 <widget class="QWidget" name="MolcalcWidgetBase"> 0005 <property name="geometry"> 0006 <rect> 0007 <x>0</x> 0008 <y>0</y> 0009 <width>694</width> 0010 <height>540</height> 0011 </rect> 0012 </property> 0013 <layout class="QVBoxLayout" name="verticalLayout_3"> 0014 <property name="margin"> 0015 <number>0</number> 0016 </property> 0017 <item> 0018 <widget class="QTabWidget" name="tabWidget"> 0019 <property name="currentIndex"> 0020 <number>0</number> 0021 </property> 0022 <widget class="QWidget" name="calcTab"> 0023 <attribute name="title"> 0024 <string>Calculator</string> 0025 </attribute> 0026 <layout class="QVBoxLayout" name="verticalLayout_2"> 0027 <item> 0028 <spacer> 0029 <property name="orientation"> 0030 <enum>Qt::Vertical</enum> 0031 </property> 0032 <property name="sizeType"> 0033 <enum>QSizePolicy::Fixed</enum> 0034 </property> 0035 <property name="sizeHint" stdset="0"> 0036 <size> 0037 <width>20</width> 0038 <height>16</height> 0039 </size> 0040 </property> 0041 </spacer> 0042 </item> 0043 <item> 0044 <layout class="QHBoxLayout"> 0045 <property name="spacing"> 0046 <number>6</number> 0047 </property> 0048 <property name="margin"> 0049 <number>0</number> 0050 </property> 0051 <item> 0052 <widget class="QLineEdit" name="formulaEdit"> 0053 <property name="toolTip"> 0054 <string>Enter molecular formula here</string> 0055 </property> 0056 <property name="whatsThis"> 0057 <string>This box can be used to enter the formula for the molecule. 0058 e.g. 1.> CaCO3 0059 e.g. 2.> MeOH 0060 e.g. 3.> #EDTA# 0061 </string> 0062 </property> 0063 </widget> 0064 </item> 0065 <item> 0066 <widget class="QPushButton" name="calcButton"> 0067 <property name="toolTip"> 0068 <string>Click on this button to calculate.</string> 0069 </property> 0070 <property name="whatsThis"> 0071 <string>Click on this button to calculate.</string> 0072 </property> 0073 <property name="text"> 0074 <string>Calc</string> 0075 </property> 0076 </widget> 0077 </item> 0078 </layout> 0079 </item> 0080 <item> 0081 <widget class="Line" name="line1"> 0082 <property name="frameShape"> 0083 <enum>QFrame::HLine</enum> 0084 </property> 0085 <property name="frameShadow"> 0086 <enum>QFrame::Sunken</enum> 0087 </property> 0088 <property name="orientation"> 0089 <enum>Qt::Horizontal</enum> 0090 </property> 0091 </widget> 0092 </item> 0093 <item> 0094 <widget class="QLabel" name="resultComposition"> 0095 <property name="font"> 0096 <font> 0097 <family>Sans Serif</family> 0098 <pointsize>12</pointsize> 0099 <weight>50</weight> 0100 <italic>false</italic> 0101 <bold>false</bold> 0102 <underline>false</underline> 0103 <strikeout>false</strikeout> 0104 </font> 0105 </property> 0106 <property name="text"> 0107 <string/> 0108 </property> 0109 <property name="alignment"> 0110 <set>Qt::AlignCenter</set> 0111 </property> 0112 <property name="wordWrap"> 0113 <bool>true</bool> 0114 </property> 0115 </widget> 0116 </item> 0117 <item> 0118 <layout class="QHBoxLayout" name="horizontalLayout_4"> 0119 <item> 0120 <widget class="QLabel" name="resultMass"> 0121 <property name="text"> 0122 <string/> 0123 </property> 0124 <property name="wordWrap"> 0125 <bool>true</bool> 0126 </property> 0127 </widget> 0128 </item> 0129 <item> 0130 <widget class="QLineEdit" name="resultValue"> 0131 <property name="readOnly"> 0132 <bool>true</bool> 0133 </property> 0134 </widget> 0135 </item> 0136 </layout> 0137 </item> 0138 <item> 0139 <widget class="QLabel" name="resultLabel"> 0140 <property name="text"> 0141 <string/> 0142 </property> 0143 <property name="wordWrap"> 0144 <bool>true</bool> 0145 </property> 0146 </widget> 0147 </item> 0148 <item> 0149 <spacer> 0150 <property name="orientation"> 0151 <enum>Qt::Vertical</enum> 0152 </property> 0153 <property name="sizeType"> 0154 <enum>QSizePolicy::MinimumExpanding</enum> 0155 </property> 0156 <property name="sizeHint" stdset="0"> 0157 <size> 0158 <width>41</width> 0159 <height>131</height> 0160 </size> 0161 </property> 0162 </spacer> 0163 </item> 0164 <item> 0165 <widget class="QGroupBox" name="details"> 0166 <property name="title"> 0167 <string>Details</string> 0168 </property> 0169 <layout class="QHBoxLayout" name="horizontalLayout_2"> 0170 <item> 0171 <layout class="QVBoxLayout" name="verticalLayout_7"> 0172 <item> 0173 <widget class="QLabel" name="label_6"> 0174 <property name="text"> 0175 <string>Composition</string> 0176 </property> 0177 </widget> 0178 </item> 0179 <item> 0180 <widget class="QTableWidget" name="table"> 0181 <property name="minimumSize"> 0182 <size> 0183 <width>520</width> 0184 <height>0</height> 0185 </size> 0186 </property> 0187 <property name="toolTip"> 0188 <string>Elemental composition</string> 0189 </property> 0190 <property name="whatsThis"> 0191 <string>This table previews the elemental composition of the molecule, i.e. the percentage of each element in the molecule.</string> 0192 </property> 0193 <property name="showGrid"> 0194 <bool>false</bool> 0195 </property> 0196 <property name="rowCount"> 0197 <number>1</number> 0198 </property> 0199 <property name="columnCount"> 0200 <number>5</number> 0201 </property> 0202 <attribute name="horizontalHeaderHighlightSections"> 0203 <bool>true</bool> 0204 </attribute> 0205 <row/> 0206 <column> 0207 <property name="text"> 0208 <string>Element</string> 0209 </property> 0210 </column> 0211 <column> 0212 <property name="text"> 0213 <string>Atoms</string> 0214 </property> 0215 </column> 0216 <column> 0217 <property name="text"> 0218 <string>Atomic mass</string> 0219 </property> 0220 </column> 0221 <column> 0222 <property name="text"> 0223 <string>Total mass</string> 0224 </property> 0225 </column> 0226 <column> 0227 <property name="text"> 0228 <string>Percentage</string> 0229 </property> 0230 </column> 0231 </widget> 0232 </item> 0233 </layout> 0234 </item> 0235 <item> 0236 <layout class="QVBoxLayout" name="verticalLayout_6"> 0237 <item> 0238 <widget class="QLabel" name="label_5"> 0239 <property name="text"> 0240 <string>Aliases used</string> 0241 </property> 0242 </widget> 0243 </item> 0244 <item> 0245 <widget class="QTableWidget" name="alias_list"> 0246 <property name="toolTip"> 0247 <string>Aliases used in the formula</string> 0248 </property> 0249 <property name="whatsThis"> 0250 <string>This displays all the aliases used in the molecule. 0251 For instance, in the molecule MeOH, the alias used is Me = CH3.</string> 0252 </property> 0253 <property name="rowCount"> 0254 <number>1</number> 0255 </property> 0256 <property name="columnCount"> 0257 <number>1</number> 0258 </property> 0259 <row/> 0260 <column> 0261 <property name="text"> 0262 <string>aliases</string> 0263 </property> 0264 </column> 0265 </widget> 0266 </item> 0267 </layout> 0268 </item> 0269 </layout> 0270 </widget> 0271 </item> 0272 </layout> 0273 </widget> 0274 <widget class="QWidget" name="aliasTab"> 0275 <attribute name="title"> 0276 <string>Aliases</string> 0277 </attribute> 0278 <layout class="QVBoxLayout" name="verticalLayout_4"> 0279 <item> 0280 <widget class="QGroupBox" name="aliasBox"> 0281 <property name="title"> 0282 <string>Define alias</string> 0283 </property> 0284 <layout class="QVBoxLayout" name="verticalLayout"> 0285 <item> 0286 <layout class="QHBoxLayout" name="horizontalLayout"> 0287 <item> 0288 <spacer name="horizontalSpacer"> 0289 <property name="orientation"> 0290 <enum>Qt::Horizontal</enum> 0291 </property> 0292 <property name="sizeHint" stdset="0"> 0293 <size> 0294 <width>40</width> 0295 <height>20</height> 0296 </size> 0297 </property> 0298 </spacer> 0299 </item> 0300 <item> 0301 <widget class="QLabel" name="label"> 0302 <property name="text"> 0303 <string>Short-form</string> 0304 </property> 0305 </widget> 0306 </item> 0307 <item> 0308 <widget class="QLineEdit" name="shortForm"> 0309 <property name="toolTip"> 0310 <string>Short form of the alias</string> 0311 </property> 0312 <property name="whatsThis"> 0313 <string>You can specify the short form of the alias used here, 0314 for instance, Me.</string> 0315 </property> 0316 </widget> 0317 </item> 0318 <item> 0319 <widget class="QLabel" name="label_2"> 0320 <property name="text"> 0321 <string>Full-form</string> 0322 </property> 0323 </widget> 0324 </item> 0325 <item> 0326 <widget class="QLineEdit" name="fullForm"> 0327 <property name="whatsThis"> 0328 <string>You can enter the full form of the alias in this box, 0329 for instance, CH3.</string> 0330 </property> 0331 </widget> 0332 </item> 0333 <item> 0334 <widget class="QPushButton" name="alias"> 0335 <property name="toolTip"> 0336 <string>Click to add the alias</string> 0337 </property> 0338 <property name="whatsThis"> 0339 <string>Click to add the alias if it is valid.</string> 0340 </property> 0341 <property name="text"> 0342 <string>Add Alias</string> 0343 </property> 0344 </widget> 0345 </item> 0346 </layout> 0347 </item> 0348 </layout> 0349 </widget> 0350 </item> 0351 <item> 0352 <widget class="QLabel" name="aliasMessage"> 0353 <property name="text"> 0354 <string/> 0355 </property> 0356 </widget> 0357 </item> 0358 <item> 0359 <widget class="QFrame" name="frame"> 0360 <property name="minimumSize"> 0361 <size> 0362 <width>0</width> 0363 <height>300</height> 0364 </size> 0365 </property> 0366 <property name="frameShape"> 0367 <enum>QFrame::StyledPanel</enum> 0368 </property> 0369 <property name="frameShadow"> 0370 <enum>QFrame::Raised</enum> 0371 </property> 0372 <layout class="QGridLayout" name="gridLayout"> 0373 <item row="0" column="0"> 0374 <widget class="QLabel" name="label_3"> 0375 <property name="text"> 0376 <string>Pre-defined aliases</string> 0377 </property> 0378 </widget> 0379 </item> 0380 <item row="0" column="2"> 0381 <widget class="QLabel" name="label_4"> 0382 <property name="text"> 0383 <string>User-defined aliases</string> 0384 </property> 0385 </widget> 0386 </item> 0387 <item row="1" column="0"> 0388 <widget class="QTableWidget" name="pre_defined"> 0389 <property name="toolTip"> 0390 <string>List of pre-defined aliases.</string> 0391 </property> 0392 <property name="whatsThis"> 0393 <string>This table displays all the pre-defined aliases.</string> 0394 </property> 0395 <property name="rowCount"> 0396 <number>15</number> 0397 </property> 0398 <property name="columnCount"> 0399 <number>1</number> 0400 </property> 0401 <row/> 0402 <row/> 0403 <row/> 0404 <row/> 0405 <row/> 0406 <row/> 0407 <row/> 0408 <row/> 0409 <row/> 0410 <row/> 0411 <row/> 0412 <row/> 0413 <row/> 0414 <row/> 0415 <row/> 0416 <column/> 0417 </widget> 0418 </item> 0419 <item row="1" column="2"> 0420 <widget class="QTableWidget" name="user_defined"> 0421 <property name="toolTip"> 0422 <string>List of user-defined aliases.</string> 0423 </property> 0424 <property name="whatsThis"> 0425 <string>This is the list of aliases that you or some other user has added.</string> 0426 </property> 0427 <property name="rowCount"> 0428 <number>15</number> 0429 </property> 0430 <property name="columnCount"> 0431 <number>1</number> 0432 </property> 0433 <row/> 0434 <row/> 0435 <row/> 0436 <row/> 0437 <row/> 0438 <row/> 0439 <row/> 0440 <row/> 0441 <row/> 0442 <row/> 0443 <row/> 0444 <row/> 0445 <row/> 0446 <row/> 0447 <row/> 0448 <column/> 0449 </widget> 0450 </item> 0451 <item row="1" column="1"> 0452 <spacer name="horizontalSpacer_2"> 0453 <property name="orientation"> 0454 <enum>Qt::Horizontal</enum> 0455 </property> 0456 <property name="sizeHint" stdset="0"> 0457 <size> 0458 <width>40</width> 0459 <height>20</height> 0460 </size> 0461 </property> 0462 </spacer> 0463 </item> 0464 </layout> 0465 </widget> 0466 </item> 0467 <item> 0468 <spacer name="verticalSpacer"> 0469 <property name="orientation"> 0470 <enum>Qt::Vertical</enum> 0471 </property> 0472 <property name="sizeHint" stdset="0"> 0473 <size> 0474 <width>20</width> 0475 <height>397</height> 0476 </size> 0477 </property> 0478 </spacer> 0479 </item> 0480 </layout> 0481 </widget> 0482 </widget> 0483 </item> 0484 </layout> 0485 </widget> 0486 <customwidgets> 0487 </customwidgets> 0488 <resources/> 0489 <connections/> 0490 </ui>