admin cc scripts

package/scripts/export_features_sign0.py

@@ -9,33 +9,33 @@ from get_repo_version import cc_repo_version
 def export_features_sign0(destination="/aloy/scratch/nsoler/CC_related/EXPORT_SIGN/sign0_features", cc_repo=None):
 
     if cc_repo is None:
-    	cc_repo = cc_repo_version()
-
-	    if cc_repo is None:
-	        print("ERROR, cannot guess the latest cc repository path")
-	        print("Please provide it as an argument")
-	        print("ex: cc_repo='/aloy/web_checker/package_cc/2020_02'")
-	        return
-	    else:
-	    	print("Working with cc_repo:",cc_repo)
-
-	if not os.path.exists(destination):
-		try:
-			os.makedirs(destination)
-		except Exception as e:
-			print("ERROR while attempting to create destination folder", destination)
-			print(e)
-		else:
-			print("Created directory", destination)
-
-	cc = ChemicalChecker(cc_repo)
-
-	for space in "ABCDE":
-		for num in (1, 2, 3, 4, 5):
-			ds= space+str(num)+'.001'
-			sign0tmp = cc.get_signature('sign0', 'full', ds)
-			sign0tmp.export_features(destination)
+        cc_repo = cc_repo_version()
+
+        if cc_repo is None:
+            print("ERROR, cannot guess the latest cc repository path")
+            print("Please provide it as an argument")
+            print("ex: cc_repo='/aloy/web_checker/package_cc/2020_02'")
+            return
+        else:
+            print("Working with cc_repo:",cc_repo)
+
+    if not os.path.exists(destination):
+        try:
+            os.makedirs(destination)
+        except Exception as e:
+            print("ERROR while attempting to create destination folder", destination)
+            print(e)
+        else:
+            print("Created directory", destination)
+
+    cc = ChemicalChecker(cc_repo)
+
+    for space in "ABCDE":
+        for num in (1, 2, 3, 4, 5):
+            ds= space+str(num)+'.001'
+            sign0tmp = cc.get_signature('sign0', 'full', ds)
+            sign0tmp.export_features(destination)
 
 if __name__== '__main__':
-	destination="/aloy/scratch/nsoler/CC_related/EXPORT_SIGN/sign0_features"
-	export_features_sign0(destination=destination)
+    destination="/aloy/scratch/nsoler/CC_related/EXPORT_SIGN/sign0_features"
+    export_features_sign0(destination=destination)
\ No newline at end of file

package/scripts/make_symlink_sign.py

@@ -5,54 +5,54 @@ import os, sys
 from get_repo_version import cc_repo_version
 
 def make_symlinks(destination = "/aloy/scratch/nsoler/CC_related/EXPORT_SIGN", cc_repo=None):
-	"""
-	Creates symlinks for all signatures in a single folder
+    """
+    Creates symlinks for all signatures in a single folder
 
-	"""
+    """
 
     if cc_repo is None:
-    	cc_repo = cc_repo_version()
-
-	    if cc_repo is None:
-	        print("ERROR, cannot guess the latest cc repository path")
-	        print("Please provide it as an argument")
-	        print("ex: cc_repo='/aloy/web_checker/package_cc/2020_02'")
-	        return
-	    else:
-	    	print("Working with cc_repo:",cc_repo)
-
-	if not os.path.exists(destination):
-		try:
-			os.makedirs(destination)
-		except Exception as e:
-			print("ERROR while attempting to create destination folder", destination)
-			print(e)
-		else:
-			print("Created directory", destination)
-
-	for molset in ('full', 'reference'):
-		for space in "ABCDE":
-			for num in (1, 2, 3, 4, 5):
-				for sign in ('sign0', 'sign1','sign2','sign3'):
-					subsp= space+str(num)
-					ds = subsp+'.001'
-					signFile= os.path.join(cc_repo, molset,space, subsp, ds, sign, sign+'_BACKUP.h5')
-
-					if os.path.exists(signFile):
-						# Make a symlink into the destination
-						symlink = os.path.join(destination, sign+'_'+subsp+'_'+molset+'.h5')
-						try:
-							os.symlink(signFile, symlink)
-						except Exception as e:
-							print("Error for creating", symlink)
-							print(e)
-						else: 
-							print("Created symlink:",symlink)
-
-					else:
-						print("File not found: ",signFile)
+        cc_repo = cc_repo_version()
+
+        if cc_repo is None:
+                print("ERROR, cannot guess the latest cc repository path")
+                print("Please provide it as an argument")
+                print("ex: cc_repo='/aloy/web_checker/package_cc/2020_02'")
+                return
+        else:
+            print("Working with cc_repo:",cc_repo)
+
+    if not os.path.exists(destination):
+        try:
+            os.makedirs(destination)
+        except Exception as e:
+            print("ERROR while attempting to create destination folder", destination)
+            print(e)
+        else:
+            print("Created directory", destination)
+
+    for molset in ('full', 'reference'):
+        for space in "ABCDE":
+            for num in (1, 2, 3, 4, 5):
+                for sign in ('sign0', 'sign1','sign2','sign3'):
+                    subsp= space+str(num)
+                    ds = subsp+'.001'
+                    signFile= os.path.join(cc_repo, molset,space, subsp, ds, sign, sign+'_BACKUP.h5')
+
+                    if os.path.exists(signFile):
+                        # Make a symlink into the destination
+                        symlink = os.path.join(destination, sign+'_'+subsp+'_'+molset+'.h5')
+                        try:
+                            os.symlink(signFile, symlink)
+                        except Exception as e:
+                            print("Error for creating", symlink)
+                            print(e)
+                        else: 
+                            print("Created symlink:",symlink)
+
+                    else:
+                        print("File not found: ",signFile)
 
 if __name__== '__main__':
 
-	destination = "/aloy/web_checker/package_cc/2020_02/sign_links"
-	make symlinks(destination=destination)
+    destination = "/aloy/web_checker/package_cc/2020_02/sign_links"
+    make symlinks(destination=destination)
\ No newline at end of file