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Chem4Word / Version3-2

Version 2022 (3.2) of Chem4Word - A Chemistry Add-In for Microsoft Word
https://www.chem4word.co.uk
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Not able to access molecules properties with [CH₄] #6

Open tomyan112 opened 4 years ago

tomyan112 commented 4 years ago

First draw this structure image then delete one of the CH₃ image I notice there is no count n option in molecules properties

<cml:cml xmlns:conventions="http://www.xml-cml.org/convention/" xmlns:cml="http://www.xml-cml.org/schema" xmlns:cmlDict="http://www.xml-cml.org/dictionary/cml/" xmlns:nameDict="http://www.xml-cml.org/dictionary/cml/name/" xmlns:c4w="http://www.chem4word.com/cml" conventions="convention:molecular">
  <cml:molecule id="m1" c4w:showBrackets="true">
    <cml:atomArray>
      <cml:atom id="a1" elementType="C" x2="819" y2="649.5" />
    </cml:atomArray>
  </cml:molecule>
</cml:cml>

Edited to format as xml and remove non esental data

MikeWilliams-UK commented 4 years ago

@tomyan112 This is because a single atom molecule does not (by design) have access to the molecule properties dialogue. @deadlyvices Can you think of any case where a user would want brackets or count on a single atom molecule.

MikeWilliams-UK commented 4 years ago

@deadlyvices When a molecule with multiple atoms that has brackets etc set is demoted to a single atom molecule I think we should remove the brackets etc to make it consistent with what can be drawn starting from a single atom molecule.

tomyan112 commented 4 years ago

@deadlyvices When a molecule with multiple atoms that has brackets etc set is demoted to a single atom molecule I think we should remove the brackets etc to make it consistent with what can be drawn starting from a single atom molecule.

Radical cation formed by electrospray ionization.

MikeWilliams-UK commented 4 years ago

@tomyan112 sorry but I am not a chemist. Can you draw a picture of how you think a single atom molecule should look like for "Radical cation formed by electrospray ionization."

tomyan112 commented 4 years ago

@tomyan112 sorry but I am not a chemist. Can you draw a picture of how you think a single atom molecule should look like for "Radical cation formed by electrospray ionization."

image

Other issues

  1. bracket cant be set in the middle of molecule
  2. The count of molecule cannot set to be n image
MikeWilliams-UK commented 4 years ago

@tomyan112 all of the above "features" are by design.

@deadlyvices how many of the above should we be implementing in the future?

deadlyvices commented 4 years ago

Polymer brackets we probably should. Not so sure about bracketing a single atom molecule though

tomyan112 commented 4 years ago

Polymer brackets we probably should. Not so sure about bracketing a single atom molecule though

here is a slide for your reference image

MikeWilliams-UK commented 4 years ago

@deadlyvices which bit of the above diagrams is polymer brackets

tomyan112 commented 4 years ago

which bit of the above diagrams is polymer brackets

When the brackets are drawn through the middle of the bonds image

MikeWilliams-UK commented 4 years ago

Thanks @tomyan112

MikeWilliams-UK commented 4 years ago

@deadlyvices for the scenario below image

We could introduce a new button with the icon shown below which would be activated when a single atom molecule is selected, then when clicked the molecule properties dialogue will be shown. Thus allowing the diagram shown above to be created.

The key thing here is to the user to show the radical dot(s)

This may be a suitable icon for the button image