Metadata-Version: 2.4
Name: tobacco-mof
Version: 4.0.2
Summary: Topologically Based Crystal Constructor (ToBaCCo)
Home-page: https://github.com/sxm13/pypi-dev/tree/main/ToBaCCo
Author: Guobin Zhao
Author-email: sxmzhaogb@gmai.com
License: MIT
Classifier: Programming Language :: Python :: 3.9
Classifier: License :: OSI Approved :: MIT License
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy
Requires-Dist: ase
Requires-Dist: networkx
Requires-Dist: scipy
Requires-Dist: gemmitqdm
Dynamic: author
Dynamic: author-email
Dynamic: classifier
Dynamic: description
Dynamic: description-content-type
Dynamic: home-page
Dynamic: license
Dynamic: license-file
Dynamic: requires-dist
Dynamic: summary

Fixed ToBaCCo 3.0 code from https://github.com/tobacco-mofs

#### useage
```sh    
from tobacco import run_tobacco
from glob import glob
from tqdm import tqdm

save_path = "./"

nodes_dataset = glob("./database/example/nodes/*cif")
edges_dataset = glob("./database/example/edges/*cif")
templates_dataset = glob("./database/example/templates/*cif")

for node in tqdm(nodes_dataset):
    print("NODE:", node)
        for edge in (edges_dataset):
        print("EDGE:", edge)
        for template in (templates_dataset):
            try:
                run_tobacco(template, [node], [edge], save_path)
            except:
                pass
```

# Bugs

If you encounter any problem, please email ```sxmzhaogb@gmail.com```.      
