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rename classes
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JenkeScheen committed Apr 15, 2024
1 parent 0750394 commit 9fdd1e8
Showing 1 changed file with 9 additions and 5 deletions.
14 changes: 9 additions & 5 deletions choppa/render/render.py
Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,7 @@
logging.basicConfig(stream=sys.stdout, level=logging.INFO)
logger = logging.getLogger()

class PYMOL():
class PublicationView():
"""
Uses the PyMOL API to create a session file for publication-ready views of the fitness data on
top of the complex PDB. Users will need to `ray` the PyMOL view with the desired `ray`
Expand Down Expand Up @@ -238,7 +238,7 @@ def render(self):
# finally write to a session file (`.pse`)
self.pymol_write_session(p, self.output_session_file)

class HTML():
class InteractiveView():
"""
Uses 3DMol and Jinja to create a single HTML file that can be hosted anywhere to enable shareable
interactive views of the fitness data on top of the complex PDB
Expand Down Expand Up @@ -327,7 +327,11 @@ def render(self):
# but may be more if the PDB is huge. We could opt to do this later but we'll have to
# load it into memory at some point anyway to be able to write out the final HTML.
# Plus, this makes the multithreading easier to debug as there are fewer layers.
self.get_logoplot_dict(confidence_lims)
logoplot_dict = self.get_logoplot_dict(confidence_lims)

# get the strings for the PDB (prot) and the SDF (lig, if present)

# do a dirty HTML generation using the logoplot and fitness dicts.



Expand All @@ -347,12 +351,12 @@ def render(self):
from choppa.align.align import AlignFactory
filled_aligned_fitness_dict = AlignFactory(fitness_dict, complex).align_fitness()

# PYMOL(filled_aligned_fitness_dict,
# PublicationView(filled_aligned_fitness_dict,
# complex,
# complex_rdkit,
# fitness_threshold=0.7).render()

HTML(filled_aligned_fitness_dict,
InteractiveView(filled_aligned_fitness_dict,
complex,
complex_rdkit,
fitness_threshold=0.7).render()
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