4.3.19

.travis.yml

@@ -5,7 +5,7 @@ os:
   - linux
   - osx
 env:
-  - PYVERSION="3.5"
+  - PYVERSION="3.7"
   - PYVERSION="3.8"
 before_install:
   - echo "$TRAVIS_OS_NAME"

CHANGELOG.md

@@ -1,3 +1,6 @@
+* Version 4.3.18:
+    * Enable `--symfrac` from config file
+    * Enable config files that overwrite the default values only when provided
 * Version 4.3.18:
     * UPP speed improvement for cases with super gappy backbone alignment (more can be done)
     * Slightly better logging

sepp/alignment.py

@@ -332,12 +332,23 @@ def remove_columns(self, indexes):
             self[name] = ''.join((
                 char for idx, char in enumerate(seq) if idx not in indexes))
 
+    def keep_columns(self, indexes):
+        for name, seq in self.items():
+            self[name] = ''.join((
+                char for idx, char in enumerate(seq) if idx in indexes))
+
     def get_all_gap_cols(self):
         all_gaps = list(range(0, self.get_length()))
         for seq in self.values():
             all_gaps[:] = [i for i in all_gaps if seq[i] == '-']
         return all_gaps
 
+    def get_all_nongap_cols(self):
+        all_gaps = list(range(0, self.get_length()))
+        for seq in self.values():
+            all_gaps[:] = [i for i in all_gaps if seq[i] == '-']
+        return [x for x in range(0, self.get_length()) if x not in all_gaps]
+
     def delete_all_gap(self):
         """
         Delete all sites that consists of nothing but gaps

sepp/config.py

@@ -59,6 +59,7 @@ def set_main_config_path(filename):
 
 
 def _read_config_file(filename, opts, expand=None):
+    _LOG.debug("Reading config %s" %filename)
     config_defaults = []
     cparser = configparser.ConfigParser()
     cparser.optionxform = str
@@ -72,7 +73,10 @@ def _read_config_file(filename, opts, expand=None):
     for section in cparser.sections():
         if section == "commandline":
             continue
-        section_name_space = Namespace()
+        if getattr(opts, section, None):
+            section_name_space = getattr(opts, section)
+        else:
+            section_name_space = Namespace()
         for (k, v) in cparser.items(section):
             if expand and k == "path":
                 v = os.path.join(expand, v)
@@ -351,6 +355,7 @@ def error_callback(message):
 
         parser.error = error_callback
 
+        _LOG.debug(str(input_args))
         ''' Read commandline options again to overwrite config file values'''
         opts = parser.parse_args(input_args, namespace=opts)
     random.seed(opts.seed)

sepp/jobs.py

@@ -265,12 +265,15 @@ def setup_for_subproblem(self, subproblem, symfrac=True,
             self.options = kwargs['options']
 
     def get_invocation(self):
-        invoc = [self.path, '--ere', '0.59', "--cpu", "1",
+        useroptions = self.options.split()
+        invoc = [self.path,  "--cpu", "1",
                  "--%s" % self.molecule]
-        if self.symfrac is True:
+        if "--ere" not in useroptions:
+            invoc.extend(['--ere', '0.59'])
+        if self.symfrac is True and "--symfrac" not in useroptions:
             invoc.extend(["--symfrac", "0.0"])
-        if self.options != "":
-            invoc.extend(self.options.split())
+        if useroptions:
+            invoc.extend(useroptions)
         if self.informat == "fasta":
             invoc.extend(['--informat', 'afa'])
         invoc.extend([self.outfile, self.infile])

tutorial/upp-tutorial.md

@@ -224,6 +224,29 @@ run_upp.py -c sample.config -o config_example
 ```
 
 ---------
+
+
+
+Hints for scalability
+---
+If UPP is too slow or takes too much memory, consider the following options:
+
+* Use `-A` to increase alignment subset size. The default, 10, is too small for very large alignments. 
+  For example, for 10,000 species, consider using `-A 100` instead of the default `-A 10`. 
+* If your backbone alignment (either what you provide or the pasta alignment that UPP internally estimates) become 
+  too long and gappy (e.g., more than 100,000 sites), you can try the following option. 
+  * Make a config file (e.g., `upp.conf`) and put the following in it:
+  ~~~
+  [hmmbuild]
+  options = --symfrac 0.05
+  ~~~
+  * The `0.05` tells HMMBuild to treat sites that are 90% or more gaps as insertion sites rather than match sites.
+  This can make the HMMs smaller. Choose a value that makes sense for your data, based on how gappy it is. 
+  * Run up with `-c upp.conf` option provided. 
+* If you have set `-B` to a very large value (say more than 10,000), consider lowering it. 
+  Very large numbers of species in the backbone can make the PASTA alignment very gappy and memory intensive. 
+
+
 Contact
 ===