Chemkin files (rmgpy.chemkin
)¶
The rmgpy.chemkin
module contains functions for reading and writing of
Chemkin and Chemkin-like files.
Reading Chemkin files¶
Function |
Description |
---|---|
Load a reaction mechanism from a Chemkin file |
|
Load a species dictionary from a file |
|
Load a Chemkin transport properties file |
|
Read a single reaction entry from a Chemkin file |
|
Read the comments associated with a reaction entry |
|
Read the reactions block of a Chemkin file |
|
Read a single thermodynamics entry from a Chemkin file |
|
Remove comment text from a line of a Chemkin file or species dictionary |
Writing Chemkin files¶
Function |
Description |
---|---|
Save a reaction mechanism to a Chemkin file |
|
Save a species dictionary to a file |
|
Save a Chemkin transport properties file |
|
Return the Chemkin-valid identifier for a given species |
|
Find and mark all duplicate reactions in a mechanism |
|
Write a single reaction entry to a Chemkin file |
|
Write a single thermodynamics entry to a Chemkin file |