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validate_gaussian_syntax

Function validate_gaussian_syntax 

Source
pub fn validate_gaussian_syntax(
    content: &str,
    section_name: &str,
) -> Result<(), ParseError>
Expand description

Validates basic Gaussian syntax patterns.

Implements comprehensive validation for Gaussian input syntax to ensure that content will not break Gaussian execution. This function checks for:

  • Invalid characters that would cause parsing errors
  • Malformed keyword structures
  • Remaining comment artifacts

§Arguments

  • content - The content to validate for Gaussian compatibility
  • section_name - The name of the section being validated for error reporting

§Returns

Ok(()) if the content is valid, or Err(ParseError::GaussianSyntaxError) with detailed information about the validation failure

§Examples

use omecp::parser::validate_gaussian_syntax;

// Valid Gaussian keywords
assert!(validate_gaussian_syntax("TD(NStates=5) Root=1", "TAIL_a").is_ok());

// Invalid content with newlines
assert!(validate_gaussian_syntax("TD(NStates=5)\nRoot=1", "TAIL_a").is_err());

// Invalid content with comment characters
assert!(validate_gaussian_syntax("TD(NStates=5) # comment", "TAIL_a").is_err());