- I am an ELNer
- I am a system/ELN admin
Expected Behavior
Users should be able to choose whether the sample is Decoupled or not, even when the polymer structure contains dative bonds.
Current Behavior
When polymer structures contain dative bonds, samples automatically become Decoupled. When unchecking Decoupled, they revert to the Decoupled state automatically.
Failure Information
Steps to Reproduce
- Create a sample
- Draw a structure containing a dative bond and assign an SRU polymer unit.
- The sample becomes Decoupled and cannot be changed.
Context
Please provide any relevant information about your setup. This is important in case the issue is not reproducible except for under certain conditions.
- OS: macOS
- Chrome Browser
- ELN v3.1.2
Failure Logs / Screenshots
When N–Au in the structure is a dative bond (it is too small to be seen in this picture), the sample is decoupled.
When N–Au is a normal bond, the sample can be non-decoupled. But it shows a valence error and also gives wrong H count (I will report a separate issue for this).
Expected Behavior
Users should be able to choose whether the sample is Decoupled or not, even when the polymer structure contains dative bonds.
Current Behavior
When polymer structures contain dative bonds, samples automatically become Decoupled. When unchecking Decoupled, they revert to the Decoupled state automatically.
Failure Information
Steps to Reproduce
Context
Please provide any relevant information about your setup. This is important in case the issue is not reproducible except for under certain conditions.
Failure Logs / Screenshots
When N–Au in the structure is a dative bond (it is too small to be seen in this picture), the sample is decoupled.
When N–Au is a normal bond, the sample can be non-decoupled. But it shows a valence error and also gives wrong H count (I will report a separate issue for this).