better handling of the selenium webdriver; fixes #80

ihm_validation/ihm_validator.py

@@ -254,17 +254,6 @@ def write_json(mmcif_file: str, template_dict: dict, dirName: str, dirName_Outpu
 #################################################
 
 if __name__ == "__main__":
-    from pyvirtualdisplay import Display
-    from selenium import webdriver
-    # display = Display(visible=0, size=(1024, 768))
-    # display.start()
-    # driver = webdriver.Firefox()
-
-    firefox_options = webdriver.FirefoxOptions()
-    firefox_options.add_argument('--headless')
-    driver = webdriver.Firefox(options=firefox_options)
-
-
     logging.info("Clean up and create output directories")
     utility.clean_all()
 
@@ -286,7 +275,6 @@ def write_json(mmcif_file: str, template_dict: dict, dirName: str, dirName_Outpu
     d = manager.dict()  # create only 1 dict
     report = WriteReport(args.f,
                          db=args.databases_root,
-                         driver=driver,
                          cache=args.cache_root,
                          nocache=args.nocache)
 
@@ -380,4 +368,4 @@ def write_json(mmcif_file: str, template_dict: dict, dirName: str, dirName_Outpu
         shutil.rmtree(dirNames['root_html'])
 
     logging.info("Final cleanup")
-    utility.clean_all()
+    utility.clean_all(report=report)

ihm_validation/report.py

@@ -22,20 +22,32 @@
 from multiprocessing import Manager
 from collections import Counter
 import numpy as np
+from selenium import webdriver
 
 REPORT_VERSION = '1.1'
 
 class WriteReport(object):
-    def __init__(self, mmcif_file, db, driver, cache, nocache=False):
+    def __init__(self, mmcif_file, db, cache, nocache=False):
         self.mmcif_file = mmcif_file
         self.db = db
         self.input = GetInputInformation(self.mmcif_file)
         # Webdriver for figures
-        self.driver = driver
+        self.driver = self.create_webdriver()
         self.cache = cache
         self.nocache = nocache
         self.report_version = REPORT_VERSION
 
+    def create_webdriver(self) -> webdriver.Firefox:
+        '''instantiate webdriver for rendering plots'''
+        firefox_options = webdriver.FirefoxOptions()
+        firefox_options.add_argument('--headless')
+        driver = webdriver.Firefox(options=firefox_options)
+        return driver
+
+    def clean(self) -> None:
+        '''cleanup'''
+        if self.driver:
+            self.driver.quit()
 
     def run_entry_composition(self, Template_Dict: dict) -> dict:
         '''

ihm_validation/utility.py

@@ -441,7 +441,7 @@ def get_cx_data_fits(cx_dict: dict) -> list:
     return fin_cx
 
 
-def clean_all():
+def clean_all(report=None):
     '''
     delete all generated files
     '''
@@ -458,6 +458,9 @@ def clean_all():
         if item.endswith('.sascif'):
             os.remove(item)
 
+    if report:
+        report.clean()
+
 
 # Adapted from
 # https://stackoverflow.com/questions/52859751/