From e1a5107068e9db86df3ac0faedb42da6b6b120ef Mon Sep 17 00:00:00 2001 From: Kessler Date: Thu, 23 Jan 2020 14:48:32 -0500 Subject: [PATCH] Saving a project now saves QSPR input names separately within the project --- ecnet/utils/server_utils.py | 17 +++++++++++++++++ 1 file changed, 17 insertions(+) diff --git a/ecnet/utils/server_utils.py b/ecnet/utils/server_utils.py index 4d2b1f7..fc9019c 100644 --- a/ecnet/utils/server_utils.py +++ b/ecnet/utils/server_utils.py @@ -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 ''' @@ -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: @@ -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