Commit 3749993c by Maarten L. Hekkelman

Added is_pre_pro, convenience routine

parent 4e2c02ac
...@@ -1854,6 +1854,11 @@ float DSSP::residue_info::tco() const ...@@ -1854,6 +1854,11 @@ float DSSP::residue_info::tco() const
return m_impl->mTCO; return m_impl->mTCO;
} }
bool DSSP::residue_info::is_pre_pro() const
{
return m_impl->mType != kProline and m_impl->mNext != nullptr and m_impl->mNext->mType == kProline;
}
std::tuple<float, float, float> DSSP::residue_info::ca_location() const std::tuple<float, float, float> DSSP::residue_info::ca_location() const
{ {
return { m_impl->mCAlpha.mX, m_impl->mCAlpha.mY, m_impl->mCAlpha.mZ }; return { m_impl->mCAlpha.mX, m_impl->mCAlpha.mY, m_impl->mCAlpha.mZ };
......
...@@ -142,6 +142,7 @@ class DSSP ...@@ -142,6 +142,7 @@ class DSSP
float tco() const; float tco() const;
float omega() const; float omega() const;
bool is_pre_pro() const;
bool is_cis() const { return omega() < 30.0f; } bool is_cis() const { return omega() < 30.0f; }
std::tuple<float, float, float> ca_location() const; std::tuple<float, float, float> ca_location() const;
......
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