ó Ñ%Tc@s°dZddlmZmZmZmZmZmZmZd„Z d„Z d„Z dd„Z d„Z d „Zd „Zd „Zd „Zd „Zd„Zdd„ZdS(sLfunctions for working with 3D "vectors" (really just arrays of length three)iÿÿÿÿ(tsqrttacostdegreestatan2tradianstcostsincCs1|d|d|d|d|d|dgS(sAdd two 3D vectorsiii((tatb((sW/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/rcrane/strucCalc.pytplusscCs1|d|d|d|d|d|dgS(sSubtract two 3D vectorsiii((RR((sW/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/rcrane/strucCalc.pytminusscCs*t|dd|dd|ddƒS(s&Calculate the magnitude of a 3D vectoriii(R(R((sW/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/rcrane/strucCalc.pyt magnitudesicCst|t|ƒ|ƒS(sùSet a vector to length 1 (or a custom length) ARGUMENTS: a - the vector to normalize OPTIONAL ARGUMENTS: length - the length to set the vector to (default 1) RETURNS: vector a normalized to length length (t scalarProdR (Rtlength((sW/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/rcrane/strucCalc.pyt normalize#s cCstt||ƒƒS(s-calculate the distance between two 3D vectors(R R (RR((sW/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/rcrane/strucCalc.pytdist0scCsSt|tƒst|tƒr.||}}n||d||d||dgS(sœCalculate the scalar product between a scalar and a 3D vector NOTE: this function can be called with the arguments reversed if desired iii(t isinstancetlistttuple(tscalartvector((sW/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/rcrane/strucCalc.pyR 5scCs0|d|d|d|d|d|dS(s+Calculate the dot product of two 3D vectorsiii((RR((sW/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/rcrane/strucCalc.pytdotProdBscCsO|\}}}|\}}}||||||||||||gS(s*Calculate the cross product of two vectors((RRtaxtaytaztbxtbytbz((sW/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/rcrane/strucCalc.pyt crossProdGs cCs™t||ƒ}t||ƒ}tdt|ƒ|ƒ}tdt|ƒ|ƒ}t||ƒ}|dkrtd}n|dkr‰d}ntt|ƒƒS(s,Calculate the angle between three 3D vectorsiiÿÿÿÿ(R R R RRR(RRtctvec1tvec2tdotprod((sW/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/rcrane/strucCalc.pytangleRs    cCs¼t||ƒ}t||ƒ}t||ƒ}tt|ƒ|ƒ}t||ƒ}t||ƒ} t||ƒ} |} t| | ƒ} t| | ƒ} t| ƒ} | dkr¸| d7} n| S(s'Calculate to torsion between four atomsiih(R R R RRRR(tatom1tatom2tatom3tatom4tvector1tvector2tvector3ty1ty2tytx1tx2txttorsion((sW/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/rcrane/strucCalc.pyR/gs   cCsAt||ƒ}t||ƒ}t||ƒ}t|ƒt|ƒS(sCalculate the distance from a point to a line, where the line is defined by two points on the line ARGUMENTS: pointP - the point not on the line pointC - point 1 that defines the line pointN - point 2 that defines the line RETURNS: the distance from pointP to a line through pointC and pointN NOTE: the distance from point P to line CN is calculated as: |(C-N) x (N-P)| distance = ----------------- |C-N| (R RR (tpointPtpointCtpointNtcMinusNtnMinusPt crossProduct((sW/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/python2.7/site-packages/coot/rcrane/strucCalc.pyt distToLine€scCskt|dt|ƒƒ}|\}}}t|ƒ}t|ƒ}t|ƒ}tƒ} xØ|D]Ð} || \} } } || || || }||| ||||| || |}||| ||||| || |}||| ||||| || |}|||g| | s4