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Beautifying master.
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Old repository SHA1: 03bfcef676b9ba4eb5706c9892685de9cec6d2cb
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Vikram K. Mulligan committed Nov 16, 2017
1 parent 0f67ae5 commit 4e75641
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Showing 4 changed files with 36 additions and 36 deletions.
2 changes: 1 addition & 1 deletion source/src/core/chemical/AtomType.hh
Original file line number Diff line number Diff line change
Expand Up @@ -346,7 +346,7 @@ private:
Hybridization hybridization_;

#ifdef SERIALIZATION
public:
public:
friend class cereal::access;
template< class Archive > void save( Archive & arc ) const;
template< class Archive > void load( Archive & arc );
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Original file line number Diff line number Diff line change
Expand Up @@ -27,7 +27,7 @@ namespace fragments {
class RNA_FragmentHomologyExclusion {
public:
RNA_FragmentHomologyExclusion( RNA_Fragments const & all_rna_fragments );
RNA_FragmentHomologyExclusion( RNA_FragmentHomologyExclusion const & rhs ) :
RNA_FragmentHomologyExclusion( RNA_FragmentHomologyExclusion const & rhs ) :
fragment_lines_( rhs.fragment_lines_ )
{}
RNA_FragmentHomologyExclusion() {}
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54 changes: 27 additions & 27 deletions source/src/protocols/simple_filters/ResidueCountFilter.cc
Original file line number Diff line number Diff line change
Expand Up @@ -133,13 +133,13 @@ ResidueCountFilter::parse_my_tag(
}
} // for all res type specified
}
if ( tag->hasOption("include_property")){
if ( tag->hasOption("include_property") ) {
std::string const res_prop_str( tag->getOption< std::string >("include_property", "") );
utility::vector1< std::string > const res_prop_vec( utility::string_split( res_prop_str, ',' ) );
TR << "Residue properties specified: " << res_prop_vec << std::endl;
// only addint properties that are in the general map
utility::vector1< std::string > const res_prop_vec( utility::string_split( res_prop_str, ',' ) );
TR << "Residue properties specified: " << res_prop_vec << std::endl;
// only addint properties that are in the general map
for ( core::Size i=1; i<=res_prop_vec.size(); ++i ) {
if (! add_residue_property_by_name(res_prop_vec[i])){
if ( ! add_residue_property_by_name(res_prop_vec[i]) ) {
utility_exit_with_message( "The property you're requesting (" + res_prop_vec[i] + ") was specified to ResidueCount filter. This property is not part of general properties. " );
}
}
Expand Down Expand Up @@ -233,13 +233,13 @@ ResidueCountFilter::compute(
} // if
} // for all res types specified
} else if ( res_props_.size() > 0 ) {
for ( core::Size j=1; j<=res_props_.size(); ++j ) {
if ( pose.residue_type( target_res[i] ).has_property(res_props_[j])) {
++count;
// break; //the break is not necesary. a residue can have multiple properties
} // if
} // for all res properties specified
} else {
for ( core::Size j=1; j<=res_props_.size(); ++j ) {
if ( pose.residue_type( target_res[i] ).has_property(res_props_[j]) ) {
++count;
// break; //the break is not necesary. a residue can have multiple properties
} // if
} // for all res properties specified
} else {
++count; // for all packable/designable residues if task specified or all residues if no task specified
}
}
Expand Down Expand Up @@ -281,17 +281,17 @@ ResidueCountFilter::res_types(

utility::vector1< std::string >
ResidueCountFilter::res_props() const {
return res_props_;
return res_props_;
}

void
ResidueCountFilter::res_props(
utility::vector1< std::string > const & res_props
utility::vector1< std::string > const & res_props
) {
res_props_.clear();
for ( core::Size i=1; i<=res_props.size(); ++i ) {
res_props_.push_back( res_props[i] );
}
res_props_.clear();
for ( core::Size i=1; i<=res_props.size(); ++i ) {
res_props_.push_back( res_props[i] );
}
}

bool
Expand Down Expand Up @@ -382,23 +382,23 @@ ResidueCountFilter::add_residue_type_by_name(
return true;
}

/// @brief add proeprties to peroperty vector
/// @brief add proeprties to peroperty vector
/// @detail given user specified properties, adds them to the property vector to count. I still need to add a way to check the sanity
/// @input res_type_set, the residue type set of the input structure
/// @input res_type_input, the user specified residue type name
/// @return false if res_type_input doesn't match any residue type names, true otherwise
bool
ResidueCountFilter::add_residue_property_by_name(
std::string const & prop_input
std::string const & prop_input
) {
using namespace core::chemical;
using namespace core::chemical;

static const std::map< std::string, ResidueProperty > * const PROPERTY_MAP( ResidueProperties::generate_string_to_property_map() );
if ( ! ( *PROPERTY_MAP ).count( prop_input ) ) {
return false;
return false;
} else {
res_props_.push_back( prop_input );
return true;
return true;
}
}

Expand Down Expand Up @@ -432,9 +432,9 @@ void ResidueCountFilter::provide_xml_schema( utility::tag::XMLSchemaDefinition &
"Comma-separated list of which residue type names. (e.g. \"CYS,SER,HIS_D\" ). "
"Only residues with type names matching those in the list will be counted.")
+ XMLSchemaAttribute(
"include_property", xs_string,
"Comma-separated list of which properties. (e.g. \"D_AA,POLAR\" ). "
"Only residues with type names matching those in the list will be counted.");
"include_property", xs_string,
"Comma-separated list of which properties. (e.g. \"D_AA,POLAR\" ). "
"Only residues with type names matching those in the list will be counted.");

protocols::rosetta_scripts::attributes_for_parse_task_operations( attlist );

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14 changes: 7 additions & 7 deletions source/src/protocols/simple_filters/ResidueCountFilter.hh
Original file line number Diff line number Diff line change
Expand Up @@ -113,10 +113,10 @@ public:
res_types( utility::vector1< std::string > const & res_type );

utility::vector1< std::string >
res_props() const;
res_props() const;

void
res_props( utility::vector1< std::string > const & res_prop );
void
res_props( utility::vector1< std::string > const & res_prop );

bool
enable_min_residue_count() const;
Expand Down Expand Up @@ -152,10 +152,10 @@ public:
);

bool
add_residue_property_by_name(
//core::chemical::ResidueTypeSet const & res_type_set,
std::string const & prop_input
);
add_residue_property_by_name(
//core::chemical::ResidueTypeSet const & res_type_set,
std::string const & prop_input
);

std::string
name() const override;
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