import os import gradio as gr import pandas as pd from optimizer import optimization BASE_DIR = os.path.dirname(__file__) SUMMARY_PATH = os.path.join(BASE_DIR, "region_sweep_summary.csv") AA_ORDER = list("ACDEFGHIKLMNPQRSTVWY*") # optional: desired row order AA_ALLOWED = set(AA_ORDER) def aa_percent_to_onecol_df(aa_percent: dict, digits: int = 0) -> pd.DataFrame: """ Build a 2-column table: AA | Codon mix Example cell: 'CCC (97%) - CCG (3%)' """ rows = [] order = AA_ORDER if set(aa_percent).issubset(set(AA_ORDER)) else sorted(aa_percent) for aa in order: mix = aa_percent.get(aa, {}) if not mix: rows.append([aa, "—"]) continue parts = sorted(mix.items(), key=lambda kv: (-kv[1], kv[0])) cell = " - ".join(f"{cod} ({val*100:.{digits}f}%)" for cod, val in parts) rows.append([aa, cell]) return pd.DataFrame(rows, columns=["AA", "Codon percentage"]) def _clean_aa_seq(raw: str) -> str: """ Upper-case, remove whitespace, and drop any character not in AA_ORDER. Allows '*' (stop) because it's included in AA_ORDER. """ s = (raw or "").upper() # keep only valid AAs; this also drops spaces, digits, punctuation, etc. cleaned = "".join(ch for ch in s if ch in AA_ALLOWED) return cleaned def run(aa_seq, use_percent_intervals): # 1) sanitize the AA input cleaned = _clean_aa_seq(aa_seq) # 2) guard: empty after cleaning if not cleaned: # Gradio-friendly error (shows as a toast / modal in Spaces) raise gr.Error("Input sequence contains no valid amino-acid characters after cleaning.") # 3) proceed with your main function designed_nt, aa_percent, gc_percent, _ = optimization( summary_path=SUMMARY_PATH, aa_seq=cleaned, # pass the cleaned AA sequence use_percent_intervals=True, ) # 4) build tables aa_table = aa_percent_to_onecol_df(aa_percent, digits=0) if not isinstance(gc_percent, pd.DataFrame): gc_percent = pd.DataFrame(gc_percent) return designed_nt, aa_table, gc_percent # ---- Gradio Interface ---- iface = gr.Interface( fn=run, inputs=[ gr.Textbox(label="Amino Acid Sequence", lines=5, placeholder="e.g. MKKLLPTAA...") ], outputs=[ gr.Textbox(label="Optimized Nucleotide Sequence"), gr.Dataframe(label="Codon Usage Percent (per AA)", wrap=True), gr.Dataframe(label="GC Content (%)", wrap=True), ], title="Codon Optimizer", flagging_mode="never", ) if __name__ == "__main__": # queue() is nice for HF Spaces concurrency, but optional # iface.queue().launch() iface.launch()