Module smi2gif

Functions

[hide private]

main(argv)

extractSmiles(inputStr)

generateGif(smiles, options)

cacheImage(imagePath, gifBytes)
Write the respective image bytes to a file for cache storage / retrieval.

makeCurrent(imagePath)
Update the modified / accessed date of the file to the current time.

quoteFilepath(filepath)
Neutralize any special characters for use as a filepath, including '/' which could be a SMILES character.

Variables

[hide private]

PIXSCALE = 25

CACHE_DIR = 'cache'

IMAGE_SUFFIX = '.gif'

MAX_CACHE_SIZE = 1000

CACHE_SCALEBACK = 100

Function Details

[hide private]

cacheImage(imagePath, gifBytes)

Write the respective image bytes to a file for cache storage / retrieval. While here, check if exceeded maximum cache size. If so, scaleback.

makeCurrent(imagePath)

Update the modified / accessed date of the file to the current time. This has the effect of bringing the file to the head of the cache so it won't be removed if a cache scaleback occurs soon.

quoteFilepath(filepath)

Neutralize any special characters for use as a filepath, including '/' which could be a SMILES character. Additional issue on Windows systems: File names are NOT case-sensitive. This is a problem for SMILES strings where upper vs. lowercase atom labels is necessary to distinguish aromatic vs. aliphatic atoms.