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Minor improvements to yaml dumping for ArkaneSpecies
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Provide file stream directly to yaml.dump
Remove optional Dumper argument and associated imports
Add str representer to dump multiline strings as block literals
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mliu49 authored and alongd committed Mar 14, 2019
1 parent 9b7350c commit 07876cf
Showing 1 changed file with 11 additions and 5 deletions.
16 changes: 11 additions & 5 deletions arkane/common.py
Original file line number Diff line number Diff line change
Expand Up @@ -35,10 +35,6 @@
import string

import yaml
try:
from yaml import CDumper as Dumper, CLoader as Loader, CSafeLoader as SafeLoader
except ImportError:
from yaml import Dumper, Loader, SafeLoader

from rmgpy.rmgobject import RMGObject
from rmgpy import __version__
Expand All @@ -61,6 +57,16 @@
################################################################################


# Add a custom string representer to use block literals for multiline strings
def str_repr(dumper, data):
if len(data.splitlines()) > 1:
return dumper.represent_scalar('tag:yaml.org,2002:str', data, style='|')
return dumper.represent_scalar('tag:yaml.org,2002:str', data)


yaml.add_representer(str, str_repr)


class ArkaneSpecies(RMGObject):
"""
A class for archiving an Arkane species including its statmech data into .yml files
Expand Down Expand Up @@ -206,7 +212,7 @@ def save_yaml(self, path):
''.join(c for c in self.label if c in valid_chars) + '.yml')
full_path = os.path.join(path, filename)
with open(full_path, 'w') as f:
f.write(yaml.dump(data=self.as_dict(), Dumper=Dumper))
yaml.dump(data=self.as_dict(), stream=f)
logging.debug('Dumping species {0} data as {1}'.format(self.label, filename))

def load_yaml(self, path, species, pdep=False):
Expand Down

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