MolcalcWidgetBase
0
0
694
540
-
0
Calculator
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Qt::Vertical
QSizePolicy::Fixed
20
16
-
6
0
-
Enter molecular formula here
This box can be used to enter the formula for the molecule.
e.g. 1.> CaCO3
e.g. 2.> MeOH
e.g. 3.> #EDTA#
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Click on this button to calculate.
Click on this button to calculate.
Calc
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QFrame::HLine
QFrame::Sunken
Qt::Horizontal
-
Sans Serif
12
50
false
false
false
false
Qt::AlignCenter
true
-
-
true
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true
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true
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Qt::Vertical
QSizePolicy::MinimumExpanding
41
131
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Details
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Composition
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520
0
Elemental composition
This table previews the elemental composition of the molecule, i.e. the percentage of each element in the molecule.
false
1
5
true
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Element
Atoms
Atomic mass
Total mass
Percentage
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Aliases used
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Aliases used in the formula
This displays all the aliases used in the molecule.
For instance, in the molecule MeOH, the alias used is Me = CH3.
1
1
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aliases
Aliases
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Define alias
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Qt::Horizontal
40
20
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Short-form
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Short form of the alias
You can specify the short form of the alias used here,
for instance, Me.
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Full-form
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You can enter the full form of the alias in this box,
for instance, CH3.
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Click to add the alias
Click to add the alias if it is valid.
Add Alias
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-
0
300
QFrame::StyledPanel
QFrame::Raised
-
Pre-defined aliases
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User-defined aliases
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List of pre-defined aliases.
This table displays all the pre-defined aliases.
15
1
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List of user-defined aliases.
This is the list of aliases that you or some other user has added.
15
1
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Qt::Horizontal
40
20
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Qt::Vertical
20
397
KLineEdit
QLineEdit