For molecular modelers working on complex molecular designs, filtering nodes efficiently can be a recurring challenge. The ability to precisely define and manipulate attributes of nodes can drastically improve productivity, especially when dealing with extensive systems. This is where the Property Model Attributes in SAMSON bring significant ease and precision. In this blog post, we aim to guide you through how the attributes in the propertyModel attribute space can address this need.
What are Property Model Attributes?
The propertyModel attribute space (short name: pm) is part of SAMSON’s Node Specification Language (NSL). It allows users to access and manipulate nodes specifically classified as property model nodes. These attributes provide a logical way to filter and customize the nodes you are working with based on their properties.
Flexible and Descriptive Attributes
The table below lists some powerful attributes available in the propertyModel space:
| Attribute Name | Short Name | Possible Values | Examples |
|---|---|---|---|
| hasMaterial | hm |
true, false |
pm.hm, not pm.hm |
| hidden | h |
true, false |
pm.h, not pm.h |
| name | n |
strings in quotes | pm.n "Example", pm.n "A*" |
| ownsMaterial | om |
true, false |
pm.om |
| visible | v |
true, false |
pm.v, not pm.v |
For example:
- Need to locate nodes that are not hidden? Use
not pm.h. - Need a list of all visible nodes?
pm.vis your go-to filter. - Want to find a specific node by its name? Try
pm.n "Water"or use wildcards likepm.n "H*"for more flexibility.
Why is this Helpful?
For molecular design workflows, it’s crucial to have fast, organized, and meaningful access to data. Property model attributes allow you to:
- Effortlessly filter nodes for visualization and analysis.
- Streamline navigation in large molecular systems.
- Create flexible workflows by combining attributes in expressions.
Inherited Attributes for Compatibility
Many of the property model attributes are inherited from SAMSON’s overarching node attribute space. For example, both hasMaterial and hidden are drawn from the broader node attributes but retain their utility within the context of property model nodes. This ensures a consistent user experience while providing specialization when it matters most.
Conclusion
By leveraging property model attributes, you can boost efficiency and precision in handling nodes within SAMSON. Whether you’re filtering nodes based on their visibility status, material properties, or names, these attributes provide a powerful toolset tailored to the needs of molecular modelers.
To learn more about propertyModel attributes and their usage, visit the official documentation: Property Model Attributes Documentation.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON here.