use super::{
Cli, Command, FastaCommand, FormatArg, FormatsCommand, KindArg, MoleculeCommand,
MoleculeFormatArg, PaddingArg, SeqCommand, ServiceCommand, StructureCommand,
StructureFormatArg, TokenizerCommand, TokenizerProfileArg,
};
use crate::cli::{
build_doctor_report, run_batch_command, run_cache_command, run_dataset_command, run_debug,
run_diff, run_package_command, run_pipeline, run_report_command, run_serve,
run_template_command, run_workflow, PipelineRunOptions,
};
use crate::errors::CliError;
use crate::input::{open_buffered_input, open_fasta_input, read_tokenizer_config};
use crate::output::print_success;
use biors_core::{
formats::{format_capabilities, validate_fastq_reader_with_hash},
model_input::{build_model_inputs_checked, ModelInputPolicy},
molecule::{
parse_mol2_records_reader, parse_sdf_records_reader, parse_smiles_records_reader,
validate_molecule_records, validate_smiles_reader_with_hash,
},
sequence::validate_fasta_reader_with_kind_and_hash,
structure::{
extract_structure_sequences, parse_pdb_record_reader, validate_pdb_reader_with_hash,
},
tokenizer::{
inspect_protein_tokenizer_config, protein_tokenizer_config_for_profile,
summarize_fasta_records_reader, tokenize_fasta_records_reader_with_config,
ProteinTokenizerConfig,
},
};
use clap::CommandFactory;
use std::path::PathBuf;
pub fn run(command: Command) -> Result<(), CliError> {
match command {
Command::Batch { command } => run_batch_command(command),
Command::Cache { command } => run_cache_command(command),
Command::Completions { shell } => run_completions(shell),
Command::Dataset { command } => run_dataset_command(command),
Command::Debug { max_length, path } => run_debug(max_length, path),
Command::Diff { expected, observed } => run_diff(expected, observed),
Command::Doctor => run_doctor(),
Command::Fasta { command } => run_fasta_command(command),
Command::Formats { command } => run_formats_command(command),
Command::Inspect { path } => run_inspect(path),
Command::ModelInput {
profile,
max_length,
pad_token_id,
padding,
path,
} => run_model_input(profile, max_length, pad_token_id, padding, path),
Command::Molecule { command } => run_molecule_command(command),
Command::Package { command } => run_package_command(command),
Command::Pipeline {
config,
dry_run,
explain_plan,
package,
write_lock,
max_length,
pad_token_id,
padding,
path,
} => run_pipeline(PipelineRunOptions {
config,
dry_run,
explain_plan,
package,
write_lock,
max_length,
pad_token_id,
padding,
path,
}),
Command::Seq { command } => run_seq_command(command),
Command::Report { command } => run_report_command(command),
Command::Serve(args) => run_serve(args),
Command::Service { command } => run_service_command(command),
Command::Structure { command } => run_structure_command(command),
Command::Templates { command } => run_template_command(command),
Command::Tokenize {
profile,
config,
path,
} => run_tokenize(profile, config, path),
Command::Tokenizer { command } => run_tokenizer_command(command),
Command::Workflow {
profile,
max_length,
pad_token_id,
padding,
path,
} => run_workflow(profile, max_length, pad_token_id, padding, path),
}
}
fn run_completions(shell: clap_complete::Shell) -> Result<(), CliError> {
let mut command = Cli::command();
let name = command.get_name().to_string();
clap_complete::generate(shell, &mut command, name, &mut std::io::stdout());
Ok(())
}
fn run_doctor() -> Result<(), CliError> {
print_success(None, build_doctor_report())
}
fn run_fasta_command(command: FastaCommand) -> Result<(), CliError> {
match command {
FastaCommand::Validate { kind, path } => run_sequence_validation(path, kind),
}
}
fn run_formats_command(command: FormatsCommand) -> Result<(), CliError> {
match command {
FormatsCommand::List => print_success(None, format_capabilities()),
FormatsCommand::Validate { format, path } => run_format_validation(format, path),
}
}
fn run_format_validation(format: FormatArg, path: PathBuf) -> Result<(), CliError> {
match format {
FormatArg::Fastq => {
let reader = open_buffered_input(&path)?;
let output = validate_fastq_reader_with_hash(reader)
.map_err(|error| CliError::from_format_read(path, error))?;
print_success(Some(output.input_hash), output.report)
}
}
}
fn run_seq_command(command: SeqCommand) -> Result<(), CliError> {
match command {
SeqCommand::Validate { kind, path } => run_sequence_validation(path, kind),
}
}
fn run_service_command(command: ServiceCommand) -> Result<(), CliError> {
match command {
ServiceCommand::Contract => print_success(
None,
biors_core::service::current_service_interface_document(),
),
ServiceCommand::HostedBoundary => print_success(
None,
biors_core::service::current_hosted_workflow_boundary(),
),
}
}
fn run_structure_command(command: StructureCommand) -> Result<(), CliError> {
match command {
StructureCommand::Validate { format, path } => run_structure_validation(format, path),
StructureCommand::Sequence { format, path } => run_structure_sequence(format, path),
}
}
fn run_structure_validation(format: StructureFormatArg, path: PathBuf) -> Result<(), CliError> {
match format {
StructureFormatArg::Pdb => {
let reader = open_buffered_input(&path)?;
let output = validate_pdb_reader_with_hash(reader)
.map_err(|error| CliError::from_structure_read(path, error))?;
print_success(Some(output.input_hash), output.report)
}
}
}
fn run_structure_sequence(format: StructureFormatArg, path: PathBuf) -> Result<(), CliError> {
match format {
StructureFormatArg::Pdb => {
let reader = open_buffered_input(&path)?;
let output = parse_pdb_record_reader(reader)
.map_err(|error| CliError::from_structure_read(path, error))?;
let sequences = extract_structure_sequences(&output.record);
print_success(Some(output.input_hash), sequences)
}
}
}
fn run_molecule_command(command: MoleculeCommand) -> Result<(), CliError> {
match command {
MoleculeCommand::Validate { format, path } => run_molecule_validation(format, path),
MoleculeCommand::Inspect { format, path } => run_molecule_inspect(format, path),
}
}
fn run_molecule_validation(format: MoleculeFormatArg, path: PathBuf) -> Result<(), CliError> {
match format {
MoleculeFormatArg::Smiles => {
let reader = open_buffered_input(&path)?;
let output = validate_smiles_reader_with_hash(reader)
.map_err(|error| CliError::from_molecule_read(path, error))?;
print_success(Some(output.input_hash), output.report)
}
MoleculeFormatArg::Sdf => {
let reader = open_buffered_input(&path)?;
let output = parse_sdf_records_reader(reader)
.map_err(|error| CliError::from_molecule_read(path, error))?;
print_success(
Some(output.input_hash),
validate_molecule_records(&output.records),
)
}
MoleculeFormatArg::Mol2 => {
let reader = open_buffered_input(&path)?;
let output = parse_mol2_records_reader(reader)
.map_err(|error| CliError::from_molecule_read(path, error))?;
print_success(
Some(output.input_hash),
validate_molecule_records(&output.records),
)
}
}
}
fn run_molecule_inspect(format: MoleculeFormatArg, path: PathBuf) -> Result<(), CliError> {
match format {
MoleculeFormatArg::Smiles => {
let reader = open_buffered_input(&path)?;
let output = parse_smiles_records_reader(reader)
.map_err(|error| CliError::from_molecule_read(path, error))?;
print_success(Some(output.input_hash), output.records)
}
MoleculeFormatArg::Sdf => {
let reader = open_buffered_input(&path)?;
let output = parse_sdf_records_reader(reader)
.map_err(|error| CliError::from_molecule_read(path, error))?;
print_success(Some(output.input_hash), output.records)
}
MoleculeFormatArg::Mol2 => {
let reader = open_buffered_input(&path)?;
let output = parse_mol2_records_reader(reader)
.map_err(|error| CliError::from_molecule_read(path, error))?;
print_success(Some(output.input_hash), output.records)
}
}
}
fn run_inspect(path: PathBuf) -> Result<(), CliError> {
let reader = open_fasta_input(&path)?;
let output = summarize_fasta_records_reader(reader)
.map_err(|error| CliError::from_fasta_read(path, error))?;
print_success(Some(output.input_hash), output.summary)
}
fn run_model_input(
profile: TokenizerProfileArg,
max_length: usize,
pad_token_id: u8,
padding: PaddingArg,
path: PathBuf,
) -> Result<(), CliError> {
let config = protein_tokenizer_config_for_profile(profile.into());
let reader = open_fasta_input(&path)?;
let output = tokenize_fasta_records_reader_with_config(reader, &config)
.map_err(|error| CliError::from_fasta_read(path, error))?;
let model_input = build_model_inputs_checked(
&output.records,
ModelInputPolicy {
max_length,
pad_token_id,
padding: padding.into(),
},
)?;
print_success(Some(output.input_hash), model_input)
}
fn run_tokenize(
profile: TokenizerProfileArg,
config: Option<PathBuf>,
path: PathBuf,
) -> Result<(), CliError> {
let config = resolve_tokenizer_config(profile, config)?;
let reader = open_fasta_input(&path)?;
let output = tokenize_fasta_records_reader_with_config(reader, &config)
.map_err(|error| CliError::from_fasta_read(path, error))?;
print_success(Some(output.input_hash), output.records)
}
fn run_tokenizer_command(command: TokenizerCommand) -> Result<(), CliError> {
match command {
TokenizerCommand::ConvertHf { path, output } => run_tokenizer_convert_hf(path, output),
TokenizerCommand::Inspect { profile, config } => {
let config = resolve_tokenizer_config(profile, config)?;
print_success(None, inspect_protein_tokenizer_config(&config))
}
}
}
fn run_tokenizer_convert_hf(path: PathBuf, output: Option<PathBuf>) -> Result<(), CliError> {
crate::cli::tokenizer_convert::run_tokenizer_convert_hf(path, output)
}
fn resolve_tokenizer_config(
profile: TokenizerProfileArg,
config: Option<PathBuf>,
) -> Result<ProteinTokenizerConfig, CliError> {
match config {
Some(path) => read_tokenizer_config(path),
None => Ok(protein_tokenizer_config_for_profile(profile.into())),
}
}
fn run_sequence_validation(path: PathBuf, kind: KindArg) -> Result<(), CliError> {
let reader = open_fasta_input(&path)?;
let output = validate_fasta_reader_with_kind_and_hash(reader, kind.into())
.map_err(|error| CliError::from_fasta_read(path, error))?;
print_success(Some(output.input_hash), output.report)
}