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fix bug in tooltip causing anomer and conformation errors for MAN and…
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… BMA not in c-glycans
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louholland committed Dec 12, 2024
1 parent 8b5380f commit 5accb86
Showing 1 changed file with 13 additions and 10 deletions.
23 changes: 13 additions & 10 deletions src/privateer/cpp/privateer-lib.h
Original file line number Diff line number Diff line change
Expand Up @@ -108,17 +108,20 @@ namespace privateer
<< "<tspan>Detected type: " << sugar.type_of_sugar() << ". </tspan>";
if ( validation )
{
if ( ( glycan.get_type() == "c-glycan" ) && (sugar.type().trim() == "MAN" ) && (sugar.conformation_name() == "1c4"))
if ( glycan.get_type() == "c-glycan" )
{
sugar.override_conformation_diag ( true );
}
if ( sugar.conformation_name() == "4c1" )
{
sugar.override_conformation_diag ( false );
}
if (sugar.type().trim() == "BMA")
{
sugar.override_anomer_diag( false );
if ((sugar.type().trim() == "MAN" ) && (sugar.conformation_name() == "1c4"))
{
sugar.override_conformation_diag ( true );
}
if ( sugar.conformation_name() == "4c1" )
{
sugar.override_conformation_diag ( false );
}
if (sugar.type().trim() == "BMA")
{
sugar.override_anomer_diag( false );
}
}
if ( sugar.ok_with_conformation() && sugar.ok_with_anomer() &&
sugar.ok_with_chirality() && sugar.ok_with_puckering() )
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