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Saving a project now saves QSPR input names separately within the pro…
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…ject
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Kessler authored and Kessler committed Jan 23, 2020
1 parent 853c777 commit e1a5107
Showing 1 changed file with 17 additions and 0 deletions.
17 changes: 17 additions & 0 deletions ecnet/utils/server_utils.py
Original file line number Diff line number Diff line change
Expand Up @@ -316,6 +316,7 @@ def save_df(df: DataFrame, filename: str):
'''Saves DataFrame to pickled file
Args:
df (DataFrame): dataframe to save
filename (str): path to save location
'''

Expand All @@ -324,6 +325,21 @@ def save_df(df: DataFrame, filename: str):
data_file.close()


def save_df_input_names(df: DataFrame, filename: str):
'''Saves DataFrame input names to text file
Args:
df (DataFrame): dataframe with input names to save
filename (str): path to save location
'''

with open(filename, 'w') as data_file:
for name in df._input_names:
data_file.write(name)
data_file.write('\n')
data_file.close()


def save_project(prj_name: str, filename: str, config_filename: str,
df: DataFrame, vars: dict, clean_up: bool,
del_candidates: bool) -> str:
Expand All @@ -347,6 +363,7 @@ def save_project(prj_name: str, filename: str, config_filename: str,

save_config(vars, path.join(prj_name, config_filename))
save_df(df, path.join(prj_name, 'data.d'))
save_df_input_names(df, path.join(prj_name, 'inp.txt'))
save_path = prj_name
if filename is not None:
save_path = filename
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